N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine

C15H21N5 — CID 103884536

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
SMILESCn1cnc(CNCc2ccccc2N2CCCC2)n1
InChIInChI=1S/C15H21N5/c1-19-12-17-15(18-19)11-16-10-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyAVZCUDMPODYQLV-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.71
Rot. Bonds5

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 103884536) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
PubChem CID103884536
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
SMILESCn1cnc(CNCc2ccccc2N2CCCC2)n1
InChIInChI=1S/C15H21N5/c1-19-12-17-15(18-19)11-16-10-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyAVZCUDMPODYQLV-UHFFFAOYSA-N
XLogP1.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]aniline
CID 9840212
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
2-(2-butyl-1,2,4-triazol-3-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493367
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
(1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 3074553
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 2310793
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487902

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine (CID 103884536) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine is Cn1cnc(CNCc2ccccc2N2CCCC2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is AVZCUDMPODYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-12-17-15(18-19)11-16-10-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 271.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 103884536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).