(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone

C14H17N5O — CID 119402143

IUPAC(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCNCC1
InChIInChI=1S/C14H17N5O/c20-14(18-8-6-15-7-9-18)13-11-19(17-16-13)10-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKeyAASQPIDOHBXJAT-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.37
Rot. Bonds3

About (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone

(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 119402143) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
PubChem CID119402143
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)N1CCNCC1
InChIInChI=1S/C14H17N5O/c20-14(18-8-6-15-7-9-18)13-11-19(17-16-13)10-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKeyAASQPIDOHBXJAT-UHFFFAOYSA-N
XLogP0.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903514
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
1-benzyltriazole-4-carbonyl chloride
CID 87720228
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
1-benzyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 120811194
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone (CID 119402143) is (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone is O=C(c1cn(Cc2ccccc2)nn1)N1CCNCC1.
What is the InChIKey of (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is AASQPIDOHBXJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(18-8-6-15-7-9-18)13-11-19(17-16-13)10-12-4-2-1-3-5-12/h1-5,11,15H,6-10H2.
What are the key properties of (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone?
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119402143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).