N-(1-benzyltriazol-4-yl)propanamide

C12H14N4O — CID 122441060

IUPACN-(1-benzyltriazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H14N4O/c1-2-12(17)13-11-9-16(15-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,13,17)
InChIKeyLKLWVLAVXRHJFO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.67
Rot. Bonds4

About N-(1-benzyltriazol-4-yl)propanamide

N-(1-benzyltriazol-4-yl)propanamide (PubChem CID 122441060) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-benzyltriazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzyltriazol-4-yl)propanamide
PubChem CID122441060
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-benzyltriazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H14N4O/c1-2-12(17)13-11-9-16(15-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,13,17)
InChIKeyLKLWVLAVXRHJFO-UHFFFAOYSA-N
XLogP1.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltriazol-4-yl)propanamide?
The IUPAC name of N-(1-benzyltriazol-4-yl)propanamide (CID 122441060) is N-(1-benzyltriazol-4-yl)propanamide.
What is the SMILES notation for N-(1-benzyltriazol-4-yl)propanamide?
The canonical SMILES for N-(1-benzyltriazol-4-yl)propanamide is CCC(=O)Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-(1-benzyltriazol-4-yl)propanamide?
The InChIKey is LKLWVLAVXRHJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-12(17)13-11-9-16(15-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,13,17).
What are the key properties of N-(1-benzyltriazol-4-yl)propanamide?
N-(1-benzyltriazol-4-yl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltriazol-4-yl)propanamide is sourced from PubChem (CID 122441060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).