1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide

C14H15N5O2 — CID 36706465

IUPAC1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H15N5O2/c20-13(11-6-7-11)16-17-14(21)12-9-19(18-15-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,20)(H,17,21)
InChIKeyUEBCWPPYGCLIFA-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.50
Rot. Bonds4

About 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide

1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide (PubChem CID 36706465) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
PubChem CID36706465
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H15N5O2/c20-13(11-6-7-11)16-17-14(21)12-9-19(18-15-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,20)(H,17,21)
InChIKeyUEBCWPPYGCLIFA-UHFFFAOYSA-N
XLogP0.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-1-benzyltriazole-4-carbohydrazide
CID 32531308
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
1-benzyltriazole-4-carbonyl chloride
CID 87720228
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094
(1S,2S,3S,4S)-3-[(1-benzyltriazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233009
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide (CID 36706465) is 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide is O=C(NNC(=O)C1CC1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide?
The InChIKey is UEBCWPPYGCLIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13(11-6-7-11)16-17-14(21)12-9-19(18-15-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,20)(H,17,21).
What are the key properties of 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide?
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide has a molecular weight of 285.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide is sourced from PubChem (CID 36706465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).