1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide

C10H15N9O — CID 154789313

IUPAC1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCn1nnnc1N1CCC(n2cc(C(N)=O)nn2)CC1
InChIInChI=1S/C10H15N9O/c1-17-10(13-14-16-17)18-4-2-7(3-5-18)19-6-8(9(11)20)12-15-19/h6-7H,2-5H2,1H3,(H2,11,20)
InChIKeyHICWDYZJIRTZDW-UHFFFAOYSA-N
MW277.29 g/mol
LogP-1.26
Rot. Bonds3

About 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide

1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 154789313) has the molecular formula C10H15N9O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID154789313
Molecular FormulaC10H15N9O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCn1nnnc1N1CCC(n2cc(C(N)=O)nn2)CC1
InChIInChI=1S/C10H15N9O/c1-17-10(13-14-16-17)18-4-2-7(3-5-18)19-6-8(9(11)20)12-15-19/h6-7H,2-5H2,1H3,(H2,11,20)
InChIKeyHICWDYZJIRTZDW-UHFFFAOYSA-N
XLogP-1.26
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[1-(5-butan-2-yl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-yl]triazole-4-carboxamide
CID 167932418
tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
CID 67267284
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
4-(4-carbamoyltriazol-1-yl)-N-[(1S)-1-cyclopropyl-2-methylpropyl]piperidine-1-carboxamide
CID 164639896
methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
CID 78949955
1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 167950050
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
1-(1-cyclopropyltriazol-4-yl)-2-methylpropan-1-one
CID 164754371
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
methyl 1-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]triazole-4-carboxylate
CID 124623849
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide (CID 154789313) is 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide is Cn1nnnc1N1CCC(n2cc(C(N)=O)nn2)CC1.
What is the InChIKey of 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is HICWDYZJIRTZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9O/c1-17-10(13-14-16-17)18-4-2-7(3-5-18)19-6-8(9(11)20)12-15-19/h6-7H,2-5H2,1H3,(H2,11,20).
What are the key properties of 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide?
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 154789313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).