2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline

C15H13BrN6 — CID 17023457

IUPAC2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1c(Br)cnn1CCc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C15H13BrN6/c1-10-12(16)8-18-21(10)7-6-14-19-15-11-4-2-3-5-13(11)17-9-22(15)20-14/h2-5,8-9H,6-7H2,1H3
InChIKeyRBTNNHWFMSCCDH-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 17023457) has the molecular formula C15H13BrN6 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID17023457
Molecular FormulaC15H13BrN6
Molecular Weight357.22 g/mol
Exact Mass356.04
IUPAC Name2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1c(Br)cnn1CCc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C15H13BrN6/c1-10-12(16)8-18-21(10)7-6-14-19-15-11-4-2-3-5-13(11)17-9-22(15)20-14/h2-5,8-9H,6-7H2,1H3
InChIKeyRBTNNHWFMSCCDH-UHFFFAOYSA-N
XLogP2.79
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 17023457) is 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline is Cc1c(Br)cnn1CCc1nc2c3ccccc3ncn2n1.
What is the InChIKey of 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is RBTNNHWFMSCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6/c1-10-12(16)8-18-21(10)7-6-14-19-15-11-4-2-3-5-13(11)17-9-22(15)20-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 357.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 17023457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).