[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

C10H20N4 — CID 112593728

IUPAC[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CC(C)C
InChIInChI=1S/C10H20N4/c1-4-5-14-9(6-8(2)3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3
InChIKeyLTIXFWDBCBYVCM-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.35
Rot. Bonds5

About [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593728) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593728
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CC(C)C
InChIInChI=1S/C10H20N4/c1-4-5-14-9(6-8(2)3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3
InChIKeyLTIXFWDBCBYVCM-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 112593728) is [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1CC(C)C.
What is the InChIKey of [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is LTIXFWDBCBYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-14-9(6-8(2)3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3.
What are the key properties of [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 196.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).