[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride

C15H22ClN5O — CID 163334514

IUPAC[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCc2ncnn2C1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C15H21N5O.ClH/c21-15(9-1-4-14-16-8-17-20(14)5-9)19-6-10-11(7-19)13-3-2-12(10)18-13;/h8-13,18H,1-7H2;1H/t9?,10-,11+,12-,13+;
InChIKeyBPDPOVIHTAJYEV-AEIDTBTASA-N
MW323.83 g/mol
LogP0.47
Rot. Bonds1

About [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride

[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride (PubChem CID 163334514) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
PubChem CID163334514
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCc2ncnn2C1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C15H21N5O.ClH/c21-15(9-1-4-14-16-8-17-20(14)5-9)19-6-10-11(7-19)13-3-2-12(10)18-13;/h8-13,18H,1-7H2;1H/t9?,10-,11+,12-,13+;
InChIKeyBPDPOVIHTAJYEV-AEIDTBTASA-N
XLogP0.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride with MolForge

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Related Compounds

acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155972591
(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
CID 163334523
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504807
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504371
methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 155491562
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 170512212
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567562
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83879292

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride?
The IUPAC name of [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride (CID 163334514) is [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride.
What is the SMILES notation for [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride?
The canonical SMILES for [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride is Cl.O=C(C1CCc2ncnn2C1)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1.
What is the InChIKey of [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride?
The InChIKey is BPDPOVIHTAJYEV-AEIDTBTASA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c21-15(9-1-4-14-16-8-17-20(14)5-9)19-6-10-11(7-19)13-3-2-12(10)18-13;/h8-13,18H,1-7H2;1H/t9?,10-,11+,12-,13+;.
What are the key properties of [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride?
[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride is sourced from PubChem (CID 163334514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).