N-(1-benzyl-5-methyltriazol-4-yl)formamide

C11H12N4O — CID 174920548

IUPACN-(1-benzyl-5-methyltriazol-4-yl)formamide
SMILESCc1c(NC=O)nnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,12,16)
InChIKeyYZGDBVGXIZIKDD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.20
Rot. Bonds4

About N-(1-benzyl-5-methyltriazol-4-yl)formamide

N-(1-benzyl-5-methyltriazol-4-yl)formamide (PubChem CID 174920548) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(1-benzyl-5-methyltriazol-4-yl)formamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methyltriazol-4-yl)formamide
PubChem CID174920548
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(1-benzyl-5-methyltriazol-4-yl)formamide
SMILESCc1c(NC=O)nnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,12,16)
InChIKeyYZGDBVGXIZIKDD-UHFFFAOYSA-N
XLogP1.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methyltriazol-4-yl)formamide?
The IUPAC name of N-(1-benzyl-5-methyltriazol-4-yl)formamide (CID 174920548) is N-(1-benzyl-5-methyltriazol-4-yl)formamide.
What is the SMILES notation for N-(1-benzyl-5-methyltriazol-4-yl)formamide?
The canonical SMILES for N-(1-benzyl-5-methyltriazol-4-yl)formamide is Cc1c(NC=O)nnn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methyltriazol-4-yl)formamide?
The InChIKey is YZGDBVGXIZIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-9-11(12-8-16)13-14-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,12,16).
What are the key properties of N-(1-benzyl-5-methyltriazol-4-yl)formamide?
N-(1-benzyl-5-methyltriazol-4-yl)formamide has a molecular weight of 216.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methyltriazol-4-yl)formamide is sourced from PubChem (CID 174920548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).