N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C12H13N5 — CID 156556840

IUPACN-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCC(C)Nc1nc2nncn2c2ccccc12
InChIInChI=1S/C12H13N5/c1-8(2)14-11-9-5-3-4-6-10(9)17-7-13-16-12(17)15-11/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBYNMNGJEAMXDJM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.10
Rot. Bonds2

About N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156556840) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156556840
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC NameN-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCC(C)Nc1nc2nncn2c2ccccc12
InChIInChI=1S/C12H13N5/c1-8(2)14-11-9-5-3-4-6-10(9)17-7-13-16-12(17)15-11/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBYNMNGJEAMXDJM-UHFFFAOYSA-N
XLogP2.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imiquimod
CID 57469
4-Aminoquinazoline
CID 84759
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081
N-Cyclohexylquinazolin-4-amine
CID 13231190
N-methylquinazolin-4-amine
CID 252220
2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156556840) is N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CC(C)Nc1nc2nncn2c2ccccc12.
What is the InChIKey of N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is BYNMNGJEAMXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-8(2)14-11-9-5-3-4-6-10(9)17-7-13-16-12(17)15-11/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 227.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156556840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).