3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole

C15H25N5 — CID 72837732

IUPAC3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole
SMILESCc1cnn(CCc2nc(CC(C)C)nn2C(C)C)c1
InChIInChI=1S/C15H25N5/c1-11(2)8-14-17-15(20(18-14)12(3)4)6-7-19-10-13(5)9-16-19/h9-12H,6-8H2,1-5H3
InChIKeyCSQGZGXHWJMSJF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.81
Rot. Bonds6

About 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole

3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole (PubChem CID 72837732) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole
PubChem CID72837732
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole
SMILESCc1cnn(CCc2nc(CC(C)C)nn2C(C)C)c1
InChIInChI=1S/C15H25N5/c1-11(2)8-14-17-15(20(18-14)12(3)4)6-7-19-10-13(5)9-16-19/h9-12H,6-8H2,1-5H3
InChIKeyCSQGZGXHWJMSJF-UHFFFAOYSA-N
XLogP2.81
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole (CID 72837732) is 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole is Cc1cnn(CCc2nc(CC(C)C)nn2C(C)C)c1.
What is the InChIKey of 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole?
The InChIKey is CSQGZGXHWJMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11(2)8-14-17-15(20(18-14)12(3)4)6-7-19-10-13(5)9-16-19/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole?
3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole has a molecular weight of 275.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 72837732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).