N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine

C13H16N4 — CID 55113752

IUPACN-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cc(CNC2CC2c2ccccc2)nn1
InChIInChI=1S/C13H16N4/c1-17-9-11(15-16-17)8-14-13-7-12(13)10-5-3-2-4-6-10/h2-6,9,12-14H,7-8H2,1H3
InChIKeyJPUVKEOGBLCCDG-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.46
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 55113752) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID55113752
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cc(CNC2CC2c2ccccc2)nn1
InChIInChI=1S/C13H16N4/c1-17-9-11(15-16-17)8-14-13-7-12(13)10-5-3-2-4-6-10/h2-6,9,12-14H,7-8H2,1H3
InChIKeyJPUVKEOGBLCCDG-UHFFFAOYSA-N
XLogP1.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2S)-N-[[1-(2,5-dimethoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164622010
trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
CID 175039189
2-[[4-[[(2-phenylcyclopropyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 174938653
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 164612822
N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602288
1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
CID 115291248
(1S)-N-[(4-methyl-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 70866942
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62756684
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine (CID 55113752) is N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine is Cn1cc(CNC2CC2c2ccccc2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is JPUVKEOGBLCCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17-9-11(15-16-17)8-14-13-7-12(13)10-5-3-2-4-6-10/h2-6,9,12-14H,7-8H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 55113752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).