N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine

C13H16N4 — CID 66193410

IUPACN-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(Cn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)9-17-10-13(15-16-17)8-14-12-6-7-12/h1-5,10,12,14H,6-9H2
InChIKeyKOSDGZKVFKJYLN-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.58
Rot. Bonds5

About N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine

N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine (PubChem CID 66193410) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
PubChem CID66193410
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(Cn2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)9-17-10-13(15-16-17)8-14-12-6-7-12/h1-5,10,12,14H,6-9H2
InChIKeyKOSDGZKVFKJYLN-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 167923741
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191658
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
1,4-dibenzyltriazole
CID 56663361
N-[(1-phenyltriazol-4-yl)methyl]spiro[2.5]octan-6-amine
CID 154863068
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine (CID 66193410) is N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine is c1ccc(Cn2cc(CNC3CC3)nn2)cc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine?
The InChIKey is KOSDGZKVFKJYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-11(5-3-1)9-17-10-13(15-16-17)8-14-12-6-7-12/h1-5,10,12,14H,6-9H2.
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine?
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine has a molecular weight of 228.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66193410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).