2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine

C15H19N5O — CID 74238909

IUPAC2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine
SMILESCc1nc(C2CC2)ncc1-c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C15H19N5O/c1-9-12(8-16-13(17-9)10-2-3-10)15-18-14(19-20-15)11-4-6-21-7-5-11/h8,10-11H,2-7H2,1H3,(H,18,19,20)
InChIKeyZKFOWGOLAUSYTM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds3

About 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine

2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine (PubChem CID 74238909) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine
PubChem CID74238909
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine
SMILESCc1nc(C2CC2)ncc1-c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C15H19N5O/c1-9-12(8-16-13(17-9)10-2-3-10)15-18-14(19-20-15)11-4-6-21-7-5-11/h8,10-11H,2-7H2,1H3,(H,18,19,20)
InChIKeyZKFOWGOLAUSYTM-UHFFFAOYSA-N
XLogP2.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
1-[4-methyl-2-(oxan-4-yl)pyrimidin-5-yl]ethanone
CID 65334515
2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine
CID 167934953
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole
CID 61337136
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
CID 55144066
3-chloro-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 65334530
3-(2-chlorofuran-3-yl)-5-cyclopropyl-1H-1,2,4-triazole
CID 106688162
5-bromo-2-cyclopropyl-4-methylpyrimidine
CID 82374731
5-(6-chloro-1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine
CID 139451057
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
CID 60680940
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine (CID 74238909) is 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine is Cc1nc(C2CC2)ncc1-c1n[nH]c(C2CCOCC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine?
The InChIKey is ZKFOWGOLAUSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-12(8-16-13(17-9)10-2-3-10)15-18-14(19-20-15)11-4-6-21-7-5-11/h8,10-11H,2-7H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine?
2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine is sourced from PubChem (CID 74238909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).