2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline

C16H15ClN6 — CID 19583253

IUPAC2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nn(C(C)c2nc3c4ccccc4ncn3n2)c(C)c1Cl
InChIInChI=1S/C16H15ClN6/c1-9-14(17)10(2)23(20-9)11(3)15-19-16-12-6-4-5-7-13(12)18-8-22(16)21-15/h4-8,11H,1-3H3
InChIKeyJEYUCJDUPGDIIY-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.35
Rot. Bonds2

About 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583253) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583253
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nn(C(C)c2nc3c4ccccc4ncn3n2)c(C)c1Cl
InChIInChI=1S/C16H15ClN6/c1-9-14(17)10(2)23(20-9)11(3)15-19-16-12-6-4-5-7-13(12)18-8-22(16)21-15/h4-8,11H,1-3H3
InChIKeyJEYUCJDUPGDIIY-UHFFFAOYSA-N
XLogP3.35
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583253) is 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nn(C(C)c2nc3c4ccccc4ncn3n2)c(C)c1Cl.
What is the InChIKey of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is JEYUCJDUPGDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c1-9-14(17)10(2)23(20-9)11(3)15-19-16-12-6-4-5-7-13(12)18-8-22(16)21-15/h4-8,11H,1-3H3.
What are the key properties of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 326.79 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).