5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine

C14H21N5 — CID 131944778

IUPAC5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine
SMILESCCCCn1nc(C(C)C)nc1-c1cncnc1C
InChIInChI=1S/C14H21N5/c1-5-6-7-19-14(17-13(18-19)10(2)3)12-8-15-9-16-11(12)4/h8-10H,5-7H2,1-4H3
InChIKeyQAPVPJIZBXAQNN-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.97
Rot. Bonds5

About 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine

5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine (PubChem CID 131944778) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine
PubChem CID131944778
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine
SMILESCCCCn1nc(C(C)C)nc1-c1cncnc1C
InChIInChI=1S/C14H21N5/c1-5-6-7-19-14(17-13(18-19)10(2)3)12-8-15-9-16-11(12)4/h8-10H,5-7H2,1-4H3
InChIKeyQAPVPJIZBXAQNN-UHFFFAOYSA-N
XLogP2.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine?
The IUPAC name of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine (CID 131944778) is 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine?
The canonical SMILES for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine is CCCCn1nc(C(C)C)nc1-c1cncnc1C.
What is the InChIKey of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine?
The InChIKey is QAPVPJIZBXAQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-6-7-19-14(17-13(18-19)10(2)3)12-8-15-9-16-11(12)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine?
5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine has a molecular weight of 259.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine is sourced from PubChem (CID 131944778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).