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

C17H24N6 — CID 72935193

IUPAC2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine
SMILESCc1nc(-c2cnc(C3CC3)nc2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C17H24N6/c1-11-15(10-18-16(19-11)13-4-5-13)17-20-12(2)21-23(17)14-6-8-22(3)9-7-14/h10,13-14H,4-9H2,1-3H3
InChIKeyGLRMIPXLYQEACE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.50
Rot. Bonds3

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

2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine (PubChem CID 72935193) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine
PubChem CID72935193
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine
SMILESCc1nc(-c2cnc(C3CC3)nc2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C17H24N6/c1-11-15(10-18-16(19-11)13-4-5-13)17-20-12(2)21-23(17)14-6-8-22(3)9-7-14/h10,13-14H,4-9H2,1-3H3
InChIKeyGLRMIPXLYQEACE-UHFFFAOYSA-N
XLogP2.50
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine (CID 72935193) is 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine is Cc1nc(-c2cnc(C3CC3)nc2C)n(C2CCN(C)CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine?
The InChIKey is GLRMIPXLYQEACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-11-15(10-18-16(19-11)13-4-5-13)17-20-12(2)21-23(17)14-6-8-22(3)9-7-14/h10,13-14H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine?
2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidine is sourced from PubChem (CID 72935193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).