2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol

C9H18N4O — CID 106810043

IUPAC2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCn1cncn1
InChIInChI=1S/C9H18N4O/c1-2-9(10,6-14)4-3-5-13-8-11-7-12-13/h7-8,14H,2-6,10H2,1H3
InChIKeyUYQSRJNKUAKHHA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol

2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol (PubChem CID 106810043) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol
PubChem CID106810043
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCn1cncn1
InChIInChI=1S/C9H18N4O/c1-2-9(10,6-14)4-3-5-13-8-11-7-12-13/h7-8,14H,2-6,10H2,1H3
InChIKeyUYQSRJNKUAKHHA-UHFFFAOYSA-N
XLogP0.16
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-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

Related Compounds

1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
2-methyl-5-(1,2,4-triazol-1-yl)pentane-2-sulfonic acid
CID 140992909
1-(3-ethylsulfonylpropyl)-1,2,4-triazole
CID 65097350
2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
CID 106809070
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
ethyl 2-oxo-5-(1,2,4-triazol-1-yl)pentanoate
CID 140993818
3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol
CID 129273593
1-(3-methylsulfanylpropyl)-1,2,4-triazole
CID 115651022
6-(1,2,4-triazol-1-yl)hex-2-en-1-ol
CID 70383221
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol (CID 106810043) is 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol is CCC(N)(CO)CCCn1cncn1.
What is the InChIKey of 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol?
The InChIKey is UYQSRJNKUAKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-2-9(10,6-14)4-3-5-13-8-11-7-12-13/h7-8,14H,2-6,10H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol?
2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(1,2,4-triazol-1-yl)pentan-1-ol is sourced from PubChem (CID 106810043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).