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

C12H13N5 — CID 176762101

IUPAC2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)c1nc2c3ccccc3nc(N)n2n1
InChIInChI=1S/C12H13N5/c1-7(2)10-15-11-8-5-3-4-6-9(8)14-12(13)17(11)16-10/h3-7H,1-2H3,(H2,13,14)
InChIKeyODQVFNSAOJJCTB-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.98
Rot. Bonds1

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

2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 176762101) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID176762101
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)c1nc2c3ccccc3nc(N)n2n1
InChIInChI=1S/C12H13N5/c1-7(2)10-15-11-8-5-3-4-6-9(8)14-12(13)17(11)16-10/h3-7H,1-2H3,(H2,13,14)
InChIKeyODQVFNSAOJJCTB-UHFFFAOYSA-N
XLogP1.98
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 176762101) is 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC(C)c1nc2c3ccccc3nc(N)n2n1.
What is the InChIKey of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ODQVFNSAOJJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-7(2)10-15-11-8-5-3-4-6-9(8)14-12(13)17(11)16-10/h3-7H,1-2H3,(H2,13,14).
What are the key properties of 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 227.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 176762101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).