cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

C9H16N4O — CID 62711061

IUPACcyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1cnnc1C(N)C1CC1
InChIInChI=1S/C9H16N4O/c1-14-5-4-13-6-11-12-9(13)8(10)7-2-3-7/h6-8H,2-5,10H2,1H3
InChIKeyYNWWHXHCMYHTJN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds5

About cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62711061) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62711061
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Namecyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1cnnc1C(N)C1CC1
InChIInChI=1S/C9H16N4O/c1-14-5-4-13-6-11-12-9(13)8(10)7-2-3-7/h6-8H,2-5,10H2,1H3
InChIKeyYNWWHXHCMYHTJN-UHFFFAOYSA-N
XLogP0.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine 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 cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (CID 62711061) is cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is COCCn1cnnc1C(N)C1CC1.
What is the InChIKey of cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is YNWWHXHCMYHTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-5-4-13-6-11-12-9(13)8(10)7-2-3-7/h6-8H,2-5,10H2,1H3.
What are the key properties of cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62711061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).