(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride

C16H26ClN7O2 — CID 171708238

IUPAC(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1nn[nH]n1)[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21
InChIInChI=1S/C16H25N7O2.ClH/c24-14-5-1-3-12-10-7-11(9-17-8-10)15(23(12)14)16(25)18-6-2-4-13-19-21-22-20-13;/h10-12,15,17H,1-9H2,(H,18,25)(H,19,20,21,22);1H/t10-,11+,12+,15-;/m1./s1
InChIKeyAREJKQRIBOBCNY-PZMVXTJNSA-N
MW383.88 g/mol
LogP-0.34
Rot. Bonds5

About (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride

(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride (PubChem CID 171708238) has the molecular formula C16H26ClN7O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
PubChem CID171708238
Molecular FormulaC16H26ClN7O2
Molecular Weight383.88 g/mol
Exact Mass383.18
IUPAC Name(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1nn[nH]n1)[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21
InChIInChI=1S/C16H25N7O2.ClH/c24-14-5-1-3-12-10-7-11(9-17-8-10)15(23(12)14)16(25)18-6-2-4-13-19-21-22-20-13;/h10-12,15,17H,1-9H2,(H,18,25)(H,19,20,21,22);1H/t10-,11+,12+,15-;/m1./s1
InChIKeyAREJKQRIBOBCNY-PZMVXTJNSA-N
XLogP-0.34
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
(1R,2S,8R,9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;dihydrochloride
CID 171329703
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126450610
(3S)-1,2,2-trimethyl-5-oxo-N-[3-(2H-tetrazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 126439441
(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126442269
(1R,2S,8R,9S)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one;hydrochloride
CID 171709507
(4aR,6S,8aR)-4-N-propyl-6-N-[3-(2H-tetrazol-5-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4,6-dicarboxamide
CID 157013706
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
(3R)-1-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 126430967
(1R,2S,8R,9S)-11-benzyl-N-[2-(1H-imidazol-2-yl)ethyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171908673
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
(1R,2S,8R,9S)-N-(2-methoxyethyl)-6-oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171388147

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride?
The IUPAC name of (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride (CID 171708238) is (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride.
What is the SMILES notation for (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride?
The canonical SMILES for (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride is Cl.O=C(NCCCc1nn[nH]n1)[C@H]1[C@@H]2CNC[C@@H](C2)[C@@H]2CCCC(=O)N21.
What is the InChIKey of (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride?
The InChIKey is AREJKQRIBOBCNY-PZMVXTJNSA-N. The full InChI is InChI=1S/C16H25N7O2.ClH/c24-14-5-1-3-12-10-7-11(9-17-8-10)15(23(12)14)16(25)18-6-2-4-13-19-21-22-20-13;/h10-12,15,17H,1-9H2,(H,18,25)(H,19,20,21,22);1H/t10-,11+,12+,15-;/m1./s1.
What are the key properties of (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride?
(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride is sourced from PubChem (CID 171708238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).