1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine

C10H20N4O — CID 116500378

IUPAC1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1C(C)CCOC
InChIInChI=1S/C10H20N4O/c1-4-5-9-10(11)12-13-14(9)8(2)6-7-15-3/h8H,4-7,11H2,1-3H3
InChIKeyMIRKGDOJVPQWSP-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.41
Rot. Bonds6

About 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine

1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine (PubChem CID 116500378) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine
PubChem CID116500378
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1C(C)CCOC
InChIInChI=1S/C10H20N4O/c1-4-5-9-10(11)12-13-14(9)8(2)6-7-15-3/h8H,4-7,11H2,1-3H3
InChIKeyMIRKGDOJVPQWSP-UHFFFAOYSA-N
XLogP1.41
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine (CID 116500378) is 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1C(C)CCOC.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine?
The InChIKey is MIRKGDOJVPQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-5-9-10(11)12-13-14(9)8(2)6-7-15-3/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine?
1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine has a molecular weight of 212.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-5-propyltriazol-4-amine is sourced from PubChem (CID 116500378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).