2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol

C14H26N4O — CID 106810072

IUPAC2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCn1nc(C)nc1C)NC1CC1
InChIInChI=1S/C14H26N4O/c1-4-14(10-19,16-13-6-7-13)8-5-9-18-12(3)15-11(2)17-18/h13,16,19H,4-10H2,1-3H3
InChIKeyYTWQUHRTNILEPH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.57
Rot. Bonds8

About 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol (PubChem CID 106810072) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
PubChem CID106810072
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCn1nc(C)nc1C)NC1CC1
InChIInChI=1S/C14H26N4O/c1-4-14(10-19,16-13-6-7-13)8-5-9-18-12(3)15-11(2)17-18/h13,16,19H,4-10H2,1-3H3
InChIKeyYTWQUHRTNILEPH-UHFFFAOYSA-N
XLogP1.57
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol 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 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol (CID 106810072) is 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol is CCC(CO)(CCCn1nc(C)nc1C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The InChIKey is YTWQUHRTNILEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-14(10-19,16-13-6-7-13)8-5-9-18-12(3)15-11(2)17-18/h13,16,19H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).