9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H32ClN5O — CID 120988323

IUPAC9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)c1nnc2n1CC(NC(=O)C1CC3CCCC(C1)C3N)CC2.Cl
InChIInChI=1S/C19H31N5O.ClH/c1-11(2)18-23-22-16-7-6-15(10-24(16)18)21-19(25)14-8-12-4-3-5-13(9-14)17(12)20;/h11-15,17H,3-10,20H2,1-2H3,(H,21,25);1H
InChIKeyNUMMVQFIPWIWHU-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.41
Rot. Bonds3

About 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988323) has the molecular formula C19H32ClN5O and a molecular weight of 381.95 g/mol. Its IUPAC name is 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120988323
Molecular FormulaC19H32ClN5O
Molecular Weight381.95 g/mol
Exact Mass381.23
IUPAC Name9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)c1nnc2n1CC(NC(=O)C1CC3CCCC(C1)C3N)CC2.Cl
InChIInChI=1S/C19H31N5O.ClH/c1-11(2)18-23-22-16-7-6-15(10-24(16)18)21-19(25)14-8-12-4-3-5-13(9-14)17(12)20;/h11-15,17H,3-10,20H2,1-2H3,(H,21,25);1H
InChIKeyNUMMVQFIPWIWHU-UHFFFAOYSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988323) is 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)c1nnc2n1CC(NC(=O)C1CC3CCCC(C1)C3N)CC2.Cl.
What is the InChIKey of 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is NUMMVQFIPWIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.ClH/c1-11(2)18-23-22-16-7-6-15(10-24(16)18)21-19(25)14-8-12-4-3-5-13(9-14)17(12)20;/h11-15,17H,3-10,20H2,1-2H3,(H,21,25);1H.
What are the key properties of 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).