N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

C12H20N6 — CID 77080424

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCCn1ncnc1CN(C)CCCn1cccn1
InChIInChI=1S/C12H20N6/c1-3-18-12(13-11-15-18)10-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3
InChIKeyDZTROOOMMBEASC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds7

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 77080424) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID77080424
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCCn1ncnc1CN(C)CCCn1cccn1
InChIInChI=1S/C12H20N6/c1-3-18-12(13-11-15-18)10-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3
InChIKeyDZTROOOMMBEASC-UHFFFAOYSA-N
XLogP1.02
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-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 N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (CID 77080424) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is CCn1ncnc1CN(C)CCCn1cccn1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is DZTROOOMMBEASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-3-18-12(13-11-15-18)10-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,11H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 77080424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).