[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone

C14H16ClN5O — CID 6498260

IUPAC[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-10-4-6-11(7-5-10)20-13(16)12(17-18-20)14(21)19-8-2-1-3-9-19/h4-7H,1-3,8-9,16H2
InChIKeyAAYDJQBVIIXOLM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.13
Rot. Bonds2

About [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone

[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 6498260) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID6498260
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-10-4-6-11(7-5-10)20-13(16)12(17-18-20)14(21)19-8-2-1-3-9-19/h4-7H,1-3,8-9,16H2
InChIKeyAAYDJQBVIIXOLM-UHFFFAOYSA-N
XLogP2.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
[5-amino-1-(4-methylphenyl)triazol-4-yl]-pyrrolidin-1-ylmethanethione
CID 154824370
[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
CID 71791488
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-(1H-pyrrol-2-yl)methanone
CID 102480805
[5-amino-1-(4-nitrophenyl)triazol-4-yl]-pyrrolidin-1-ylmethanethione
CID 154824399
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
tert-butyl 4-[1-(4-chlorophenyl)-5-methyltriazole-4-carbonyl]piperazine-1-carboxylate
CID 46857942
piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone
CID 22425245
[4-amino-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42585324
N-[2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]-1-(4-fluorophenyl)-5-phenyltriazole-4-carboxamide
CID 17038416
1-(azepan-1-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3996030
[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone
CID 1486986

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone (CID 6498260) is [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is AAYDJQBVIIXOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-10-4-6-11(7-5-10)20-13(16)12(17-18-20)14(21)19-8-2-1-3-9-19/h4-7H,1-3,8-9,16H2.
What are the key properties of [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone?
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 305.77 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 6498260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).