N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride

C16H24ClN5 — CID 120898797

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCN(Cc1cnn(-c2ccccc2)n1)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-16(8-9-17-12-16)13-20(2)11-14-10-18-21(19-14)15-6-4-3-5-7-15;/h3-7,10,17H,8-9,11-13H2,1-2H3;1H
InChIKeyJTDYJFFNVFZGMQ-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 120898797) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
PubChem CID120898797
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCN(Cc1cnn(-c2ccccc2)n1)CC1(C)CCNC1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-16(8-9-17-12-16)13-20(2)11-14-10-18-21(19-14)15-6-4-3-5-7-15;/h3-7,10,17H,8-9,11-13H2,1-2H3;1H
InChIKeyJTDYJFFNVFZGMQ-UHFFFAOYSA-N
XLogP2.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride 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

N,N-dimethyl-1-(4-(((2-phenyl-2H-1,2,3-triazol-4-yl)methylamino)methyl)phenyl)methanamine
CID 8851244
N-[(1H-1,2,3-triazol-5-yl)methyl]aniline
CID 61318525
N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 9115212
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
1-Phenylamino-1h-[1,2,3]triazole-4-carbothioic acid diethylamide
CID 129828099
2-phenyl-4-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]triazole
CID 40165427
N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine
CID 97825731
1-[(3R)-1-benzylazepan-3-yl]-N-[(2-ethyltriazol-4-yl)methyl]methanamine
CID 164634127
4-fluoro-N-[[1-[(3S)-2,4,4-trimethylpent-1-en-3-yl]triazol-4-yl]methyl]aniline
CID 163386657
2,2,2-trifluoro-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 28774518
3,3,3-trifluoro-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 55174941
3-fluoro-N-[(1-methyltriazol-4-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62756508

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride (CID 120898797) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride is CN(Cc1cnn(-c2ccccc2)n1)CC1(C)CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is JTDYJFFNVFZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c1-16(8-9-17-12-16)13-20(2)11-14-10-18-21(19-14)15-6-4-3-5-7-15;/h3-7,10,17H,8-9,11-13H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 120898797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).