3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide

C12H18N4O — CID 163941059

IUPAC3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
SMILESCC(CC1CCCC1)C(=O)Nc1nccnn1
InChIInChI=1S/C12H18N4O/c1-9(8-10-4-2-3-5-10)11(17)15-12-13-6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,13,15,16,17)
InChIKeyRQZIEWJWYWMKBL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.03
Rot. Bonds4

About 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide

3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 163941059) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID163941059
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
SMILESCC(CC1CCCC1)C(=O)Nc1nccnn1
InChIInChI=1S/C12H18N4O/c1-9(8-10-4-2-3-5-10)11(17)15-12-13-6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,13,15,16,17)
InChIKeyRQZIEWJWYWMKBL-UHFFFAOYSA-N
XLogP2.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide (CID 163941059) is 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide is CC(CC1CCCC1)C(=O)Nc1nccnn1.
What is the InChIKey of 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is RQZIEWJWYWMKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(8-10-4-2-3-5-10)11(17)15-12-13-6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,13,15,16,17).
What are the key properties of 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 163941059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).