2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one

C11H15N5O — CID 137004350

IUPAC2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1nncc1-c1nc(C)[nH]c(=O)c1C
InChIInChI=1S/C11H15N5O/c1-4-5-16-9(6-12-15-16)10-7(2)11(17)14-8(3)13-10/h6H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyPLLAEEFBCZVPRV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.06
Rot. Bonds3

About 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one

2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137004350) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137004350
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1nncc1-c1nc(C)[nH]c(=O)c1C
InChIInChI=1S/C11H15N5O/c1-4-5-16-9(6-12-15-16)10-7(2)11(17)14-8(3)13-10/h6H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyPLLAEEFBCZVPRV-UHFFFAOYSA-N
XLogP1.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
CID 114690776
3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
CID 114690815
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
CID 114691130
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
ethane;5-methyl-1-propyltriazole
CID 164526823
4-(3-propyltriazol-4-yl)aniline
CID 82205210
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-methyl-3-(3-propyltriazol-4-yl)pyridin-2-amine
CID 114690230
5-(3-propyltriazol-4-yl)furan-2-carbaldehyde
CID 106886632
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one (CID 137004350) is 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one is CCCn1nncc1-c1nc(C)[nH]c(=O)c1C.
What is the InChIKey of 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is PLLAEEFBCZVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-5-16-9(6-12-15-16)10-7(2)11(17)14-8(3)13-10/h6H,4-5H2,1-3H3,(H,13,14,17).
What are the key properties of 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one?
2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-propyltriazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137004350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).