2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline

C13H14N4 — CID 58208554

IUPAC2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(C(C)C)n2n1
InChIInChI=1S/C13H14N4/c1-8(2)12-15-11-7-5-4-6-10(11)13-14-9(3)16-17(12)13/h4-8H,1-3H3
InChIKeyLUJZBSPZOJXLBV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.71
Rot. Bonds1

About 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline

2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 58208554) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID58208554
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(C(C)C)n2n1
InChIInChI=1S/C13H14N4/c1-8(2)12-15-11-7-5-4-6-10(11)13-14-9(3)16-17(12)13/h4-8H,1-3H3
InChIKeyLUJZBSPZOJXLBV-UHFFFAOYSA-N
XLogP2.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline (CID 58208554) is 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(C(C)C)n2n1.
What is the InChIKey of 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is LUJZBSPZOJXLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8(2)12-15-11-7-5-4-6-10(11)13-14-9(3)16-17(12)13/h4-8H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 226.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 58208554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).