N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide

C15H18N4O — CID 2738912

IUPACN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1CCC1
InChIInChI=1S/C15H18N4O/c1-11-14(10-16-15(20)12-6-5-7-12)18-19(17-11)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10H2,1H3,(H,16,20)
InChIKeySLOXHTDAEZFEDI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.99
Rot. Bonds4

About N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide

N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 2738912) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID2738912
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1CCC1
InChIInChI=1S/C15H18N4O/c1-11-14(10-16-15(20)12-6-5-7-12)18-19(17-11)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10H2,1H3,(H,16,20)
InChIKeySLOXHTDAEZFEDI-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide (CID 2738912) is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide is Cc1nn(-c2ccccc2)nc1CNC(=O)C1CCC1.
What is the InChIKey of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is SLOXHTDAEZFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-14(10-16-15(20)12-6-5-7-12)18-19(17-11)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10H2,1H3,(H,16,20).
What are the key properties of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 2738912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).