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

C12H12N4 — CID 142915531

IUPAC2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)c1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H12N4/c1-8(2)11-14-12-9-5-3-4-6-10(9)13-7-16(12)15-11/h3-8H,1-2H3
InChIKeyMLQMGNBQQKPHTM-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.40
Rot. Bonds1

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

2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 142915531) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID142915531
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)c1nc2c3ccccc3ncn2n1
InChIInChI=1S/C12H12N4/c1-8(2)11-14-12-9-5-3-4-6-10(9)13-7-16(12)15-11/h3-8H,1-2H3
InChIKeyMLQMGNBQQKPHTM-UHFFFAOYSA-N
XLogP2.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583253
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176762101
2-[(2S)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 51392149
2-[(2S)-1-(4-nitropyrazol-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 51388483
2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889963
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583151
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672
2-(5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889940
2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889764
2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58208554
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline (CID 142915531) is 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline is CC(C)c1nc2c3ccccc3ncn2n1.
What is the InChIKey of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is MLQMGNBQQKPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8(2)11-14-12-9-5-3-4-6-10(9)13-7-16(12)15-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline?
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 212.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 142915531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).