N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride

C17H24ClN9O2 — CID 171707604

IUPACN-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C17H23N9O2.ClH/c27-14-3-1-2-12-10-4-11(6-18-5-10)13(26(12)14)7-19-16(28)15-22-17(24-23-15)25-8-20-21-9-25;/h8-13,18H,1-7H2,(H,19,28)(H,22,23,24);1H/t10-,11+,12+,13+;/m1./s1
InChIKeyIOYDLCFSQDTHED-VHICAWHZSA-N
MW421.89 g/mol
LogP-0.47
Rot. Bonds4

About N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride

N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride (PubChem CID 171707604) has the molecular formula C17H24ClN9O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
PubChem CID171707604
Molecular FormulaC17H24ClN9O2
Molecular Weight421.89 g/mol
Exact Mass421.17
IUPAC NameN-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C17H23N9O2.ClH/c27-14-3-1-2-12-10-4-11(6-18-5-10)13(26(12)14)7-19-16(28)15-22-17(24-23-15)25-8-20-21-9-25;/h8-13,18H,1-7H2,(H,19,28)(H,22,23,24);1H/t10-,11+,12+,13+;/m1./s1
InChIKeyIOYDLCFSQDTHED-VHICAWHZSA-N
XLogP-0.47
TPSA133.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]isoquinoline-6-carboxamide;dihydrochloride
CID 171325861
2,3-dimethyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]imidazo[4,5-b]pyridine-7-carboxamide;dihydrochloride
CID 171324997
6-methyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 171708490
N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 171712067
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;hydrochloride
CID 171713458
3-(1H-benzimidazol-2-yl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]propanamide;dihydrochloride
CID 171325832
N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 6497091
(1R,2S,8R,9S)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
CID 171708045
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide;dihydrochloride
CID 171325641
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 156586379
(1R,2S,8R,9S)-8-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
CID 171709757
N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 171915252

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride (CID 171707604) is N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride is Cl.O=C(NC[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21)c1nc(-n2cnnc2)n[nH]1.
What is the InChIKey of N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The InChIKey is IOYDLCFSQDTHED-VHICAWHZSA-N. The full InChI is InChI=1S/C17H23N9O2.ClH/c27-14-3-1-2-12-10-4-11(6-18-5-10)13(26(12)14)7-19-16(28)15-22-17(24-23-15)25-8-20-21-9-25;/h8-13,18H,1-7H2,(H,19,28)(H,22,23,24);1H/t10-,11+,12+,13+;/m1./s1.
What are the key properties of N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride has a molecular weight of 421.89 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 171707604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).