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

C13H18N6 — CID 154751126

IUPAC4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCCC2c2n[nH]c(C)n2)n1
InChIInChI=1S/C13H18N6/c1-9-6-7-14-13(15-9)19-8-4-3-5-11(19)12-16-10(2)17-18-12/h6-7,11H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyHMWOFURPORVRSQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.94
Rot. Bonds2

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

4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 154751126) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID154751126
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCCC2c2n[nH]c(C)n2)n1
InChIInChI=1S/C13H18N6/c1-9-6-7-14-13(15-9)19-8-4-3-5-11(19)12-16-10(2)17-18-12/h6-7,11H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyHMWOFURPORVRSQ-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (CID 154751126) is 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is Cc1ccnc(N2CCCCC2c2n[nH]c(C)n2)n1.
What is the InChIKey of 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is HMWOFURPORVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-6-7-14-13(15-9)19-8-4-3-5-11(19)12-16-10(2)17-18-12/h6-7,11H,3-5,8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).