N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide

C18H18N6O2 — CID 121120018

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-17-10-15(13-6-7-13)20-12-23(17)9-8-19-18(26)16-11-21-24(22-16)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,19,26)
InChIKeyITAZBGPGFASZCD-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.13
Rot. Bonds6

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide (PubChem CID 121120018) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
PubChem CID121120018
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-17-10-15(13-6-7-13)20-12-23(17)9-8-19-18(26)16-11-21-24(22-16)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,19,26)
InChIKeyITAZBGPGFASZCD-UHFFFAOYSA-N
XLogP1.13
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119102746
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 119099471
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,3-diphenylpropanamide
CID 121120312
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide (CID 121120018) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide is O=C(NCCn1cnc(C2CC2)cc1=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is ITAZBGPGFASZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17-10-15(13-6-7-13)20-12-23(17)9-8-19-18(26)16-11-21-24(22-16)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,19,26).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 121120018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).