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

C12H13N5 — CID 893376

IUPAC5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCCCc1nc2ccccc2c2nc(N)nn12
InChIInChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)
InChIKeyWFRPCMTYTZUBRF-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.81
Rot. Bonds2

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

5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (PubChem CID 893376) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
PubChem CID893376
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCCCc1nc2ccccc2c2nc(N)nn12
InChIInChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)
InChIKeyWFRPCMTYTZUBRF-UHFFFAOYSA-N
XLogP1.81
TPSA69.10 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The IUPAC name of 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (CID 893376) is 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.
What is the SMILES notation for 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The canonical SMILES for 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is CCCc1nc2ccccc2c2nc(N)nn12.
What is the InChIKey of 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The InChIKey is WFRPCMTYTZUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16).
What are the key properties of 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is sourced from PubChem (CID 893376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).