1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide

C10H15N9O — CID 63284483

IUPAC1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H15N9O/c20-10(12-5-9-14-16-17-15-9)8-6-19(18-13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2,(H,12,20)(H,14,15,16,17)
InChIKeyKSLJQMUTLBLISO-UHFFFAOYSA-N
MW277.29 g/mol
LogP-1.35
Rot. Bonds4

About 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide (PubChem CID 63284483) has the molecular formula C10H15N9O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
PubChem CID63284483
Molecular FormulaC10H15N9O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H15N9O/c20-10(12-5-9-14-16-17-15-9)8-6-19(18-13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2,(H,12,20)(H,14,15,16,17)
InChIKeyKSLJQMUTLBLISO-UHFFFAOYSA-N
XLogP-1.35
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106381319
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide (CID 63284483) is 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide is O=C(NCc1nn[nH]n1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide?
The InChIKey is KSLJQMUTLBLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9O/c20-10(12-5-9-14-16-17-15-9)8-6-19(18-13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2,(H,12,20)(H,14,15,16,17).
What are the key properties of 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 63284483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).