2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide

C20H21N5O — CID 174938653

IUPAC2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1cc(CNC2CC2c2ccccc2)nn1
InChIInChI=1S/C20H21N5O/c21-20(26)17-9-5-4-8-15(17)12-25-13-16(23-24-25)11-22-19-10-18(19)14-6-2-1-3-7-14/h1-9,13,18-19,22H,10-12H2,(H2,21,26)
InChIKeyMFTBBAIPPUXURO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.07
Rot. Bonds7

About 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide

2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide (PubChem CID 174938653) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide
PubChem CID174938653
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1cc(CNC2CC2c2ccccc2)nn1
InChIInChI=1S/C20H21N5O/c21-20(26)17-9-5-4-8-15(17)12-25-13-16(23-24-25)11-22-19-10-18(19)14-6-2-1-3-7-14/h1-9,13,18-19,22H,10-12H2,(H2,21,26)
InChIKeyMFTBBAIPPUXURO-UHFFFAOYSA-N
XLogP2.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 55113752
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
trans-(1R,2S)-N-[[1-(2,5-dimethoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164622010
2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide
CID 141324902
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
CID 174857995
2-[[4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 175748341
3-[[(2-phenylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103244644
trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
CID 175039189
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide?
The IUPAC name of 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide (CID 174938653) is 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide?
The canonical SMILES for 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide is NC(=O)c1ccccc1Cn1cc(CNC2CC2c2ccccc2)nn1.
What is the InChIKey of 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide?
The InChIKey is MFTBBAIPPUXURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-20(26)17-9-5-4-8-15(17)12-25-13-16(23-24-25)11-22-19-10-18(19)14-6-2-1-3-7-14/h1-9,13,18-19,22H,10-12H2,(H2,21,26).
What are the key properties of 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide?
2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 174938653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).