1-(4-methylpentyl)triazole

C8H15N3 — CID 20811806

IUPAC1-(4-methylpentyl)triazole
SMILESCC(C)CCCn1ccnn1
InChIInChI=1S/C8H15N3/c1-8(2)4-3-6-11-7-5-9-10-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyKESYEQWZJNMYII-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds4

About 1-(4-methylpentyl)triazole

1-(4-methylpentyl)triazole (PubChem CID 20811806) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4-methylpentyl)triazole.

Molecular Properties

Compound Name1-(4-methylpentyl)triazole
PubChem CID20811806
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4-methylpentyl)triazole
SMILESCC(C)CCCn1ccnn1
InChIInChI=1S/C8H15N3/c1-8(2)4-3-6-11-7-5-9-10-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyKESYEQWZJNMYII-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)triazole?
The IUPAC name of 1-(4-methylpentyl)triazole (CID 20811806) is 1-(4-methylpentyl)triazole.
What is the SMILES notation for 1-(4-methylpentyl)triazole?
The canonical SMILES for 1-(4-methylpentyl)triazole is CC(C)CCCn1ccnn1.
What is the InChIKey of 1-(4-methylpentyl)triazole?
The InChIKey is KESYEQWZJNMYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2)4-3-6-11-7-5-9-10-11/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)triazole?
1-(4-methylpentyl)triazole has a molecular weight of 153.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)triazole is sourced from PubChem (CID 20811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).