7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C10H8ClN5 — CID 169150906

IUPAC7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3cccc(Cl)c3nc(N)n2n1
InChIInChI=1S/C10H8ClN5/c1-5-13-9-6-3-2-4-7(11)8(6)14-10(12)16(9)15-5/h2-4H,1H3,(H2,12,14)
InChIKeyZRIJSVRGTWXBMK-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.82
Rot. Bonds

About 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150906) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150906
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3cccc(Cl)c3nc(N)n2n1
InChIInChI=1S/C10H8ClN5/c1-5-13-9-6-3-2-4-7(11)8(6)14-10(12)16(9)15-5/h2-4H,1H3,(H2,12,14)
InChIKeyZRIJSVRGTWXBMK-UHFFFAOYSA-N
XLogP1.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150906) is 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2c3cccc(Cl)c3nc(N)n2n1.
What is the InChIKey of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ZRIJSVRGTWXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c1-5-13-9-6-3-2-4-7(11)8(6)14-10(12)16(9)15-5/h2-4H,1H3,(H2,12,14).
What are the key properties of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 233.66 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).