1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine

C10H19N5 — CID 64547694

IUPAC1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine
SMILESCN1CCC(NCCCc2ncn[nH]2)C1
InChIInChI=1S/C10H19N5/c1-15-6-4-9(7-15)11-5-2-3-10-12-8-13-14-10/h8-9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyATQCOCFOZNSQBU-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.03
Rot. Bonds5

About 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine

1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine (PubChem CID 64547694) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine
PubChem CID64547694
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine
SMILESCN1CCC(NCCCc2ncn[nH]2)C1
InChIInChI=1S/C10H19N5/c1-15-6-4-9(7-15)11-5-2-3-10-12-8-13-14-10/h8-9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyATQCOCFOZNSQBU-UHFFFAOYSA-N
XLogP0.03
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine 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

3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexan-1-amine
CID 64750854
3,4-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexan-1-amine
CID 64745827
3-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 103561977
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853559
3-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64548273
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609464
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
N-[(4-tert-butylcyclohexyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 104575127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine (CID 64547694) is 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine is CN1CCC(NCCCc2ncn[nH]2)C1.
What is the InChIKey of 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine?
The InChIKey is ATQCOCFOZNSQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-6-4-9(7-15)11-5-2-3-10-12-8-13-14-10/h8-9,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine?
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine has a molecular weight of 209.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 64547694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).