4-methyl-5-(2-methylpropyl)-1-propyltriazole

C10H19N3 — CID 69387017

IUPAC4-methyl-5-(2-methylpropyl)-1-propyltriazole
SMILESCCCn1nnc(C)c1CC(C)C
InChIInChI=1S/C10H19N3/c1-5-6-13-10(7-8(2)3)9(4)11-12-13/h8H,5-7H2,1-4H3
InChIKeyIJHAXXGESJSALW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds4

About 4-methyl-5-(2-methylpropyl)-1-propyltriazole

4-methyl-5-(2-methylpropyl)-1-propyltriazole (PubChem CID 69387017) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1-propyltriazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1-propyltriazole
PubChem CID69387017
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-methyl-5-(2-methylpropyl)-1-propyltriazole
SMILESCCCn1nnc(C)c1CC(C)C
InChIInChI=1S/C10H19N3/c1-5-6-13-10(7-8(2)3)9(4)11-12-13/h8H,5-7H2,1-4H3
InChIKeyIJHAXXGESJSALW-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-1-propyltriazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1-propyltriazole (CID 69387017) is 4-methyl-5-(2-methylpropyl)-1-propyltriazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1-propyltriazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1-propyltriazole is CCCn1nnc(C)c1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1-propyltriazole?
The InChIKey is IJHAXXGESJSALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-13-10(7-8(2)3)9(4)11-12-13/h8H,5-7H2,1-4H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-1-propyltriazole?
4-methyl-5-(2-methylpropyl)-1-propyltriazole has a molecular weight of 181.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1-propyltriazole is sourced from PubChem (CID 69387017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).