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

C17H27N7 — CID 71928295

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C17H27N7/c1-21-9-7-18-15(21)12-24-8-6-14(10-24)22(2)11-16-19-20-17(23(16)3)13-4-5-13/h7,9,13-14H,4-6,8,10-12H2,1-3H3
InChIKeyVPNNVIXJTVTHJL-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.13
Rot. Bonds6

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

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928295) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928295
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C17H27N7/c1-21-9-7-18-15(21)12-24-8-6-14(10-24)22(2)11-16-19-20-17(23(16)3)13-4-5-13/h7,9,13-14H,4-6,8,10-12H2,1-3H3
InChIKeyVPNNVIXJTVTHJL-UHFFFAOYSA-N
XLogP1.13
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]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

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
1-propyl-1'-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H,1'H-2,2'-biimidazole
CID 70750230
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928265
1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
1-cyclohexyl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72885805
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
4-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-4H-1,2,4-triazole
CID 50965463
1-tert-butyl-5-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-methyl-1H-1,2,4-triazole
CID 72927815
1-butyl-5-[(1S)-1-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazole
CID 97452482
3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 97452761

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928295) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2nccn2C)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VPNNVIXJTVTHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-21-9-7-18-15(21)12-24-8-6-14(10-24)22(2)11-16-19-20-17(23(16)3)13-4-5-13/h7,9,13-14H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).