N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C11H16N8O — CID 155508064

IUPACN-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCCc1nn[nH]n1)C1CCc2ncnn2C1
InChIInChI=1S/C11H16N8O/c20-11(12-5-1-2-9-15-17-18-16-9)8-3-4-10-13-7-14-19(10)6-8/h7-8H,1-6H2,(H,12,20)(H,15,16,17,18)
InChIKeyZHSISENOOGJVRZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.90
Rot. Bonds5

About N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155508064) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155508064
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCCCc1nn[nH]n1)C1CCc2ncnn2C1
InChIInChI=1S/C11H16N8O/c20-11(12-5-1-2-9-15-17-18-16-9)8-3-4-10-13-7-14-19(10)6-8/h7-8H,1-6H2,(H,12,20)(H,15,16,17,18)
InChIKeyZHSISENOOGJVRZ-UHFFFAOYSA-N
XLogP-0.90
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidin-2-one
CID 131952514
N-methyl-2-[5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146038154
N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide acetate
CID 155499282
acetic acid;N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155938775
5-(2-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one
CID 67736472
5-(2-Methyl-1,2,4-triazol-3-yl)piperidin-2-one
CID 67746861
5-(2-Ethyl-1,2,4-triazol-3-yl)piperidin-2-one
CID 91113343
[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63006428
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 63330377
(4-Methylpyrrolidin-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 63714488
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
CID 64529547

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 155508064) is N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(NCCCc1nn[nH]n1)C1CCc2ncnn2C1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is ZHSISENOOGJVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c20-11(12-5-1-2-9-15-17-18-16-9)8-3-4-10-13-7-14-19(10)6-8/h7-8H,1-6H2,(H,12,20)(H,15,16,17,18).
What are the key properties of N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).