1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine

C19H20N4 — CID 90204123

IUPAC1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine
SMILESCCC1(N)CC1c1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C19H20N4/c1-2-19(20)12-16(19)15-10-6-7-11-18(15)23-13-17(21-22-23)14-8-4-3-5-9-14/h3-11,13,16H,2,12,20H2,1H3
InChIKeyDWONJVKOJSLLKP-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.53
Rot. Bonds4

About 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine

1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine (PubChem CID 90204123) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine
PubChem CID90204123
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine
SMILESCCC1(N)CC1c1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C19H20N4/c1-2-19(20)12-16(19)15-10-6-7-11-18(15)23-13-17(21-22-23)14-8-4-3-5-9-14/h3-11,13,16H,2,12,20H2,1H3
InChIKeyDWONJVKOJSLLKP-UHFFFAOYSA-N
XLogP3.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
N-methyl-2-[2-[1-(4-nitrophenyl)triazol-4-yl]propan-2-yl]aniline
CID 2328243
4-[1-(4-iodophenyl)triazol-4-yl]-N-methylaniline
CID 16736644
4-[1-(4-iodophenyl)triazol-4-yl]-N,N-dimethylaniline
CID 16736645
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
4-Phenyl-1-[(1-phenyltriazol-4-yl)methyl]piperidine
CID 44419066
1-[4-[(S)-(benzylamino)-cyclohexylmethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925414
1-[4-[(1S)-1-(benzylamino)-1-cyclohexylethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 71452494
N-[(2-phenylphenyl)methyl]-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-amine
CID 86305920
N-[(2-phenylphenyl)methyl]-6-(4-pyridin-3-yltriazol-1-yl)hexan-1-amine
CID 86305921

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine (CID 90204123) is 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine is CCC1(N)CC1c1ccccc1-n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine?
The InChIKey is DWONJVKOJSLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-19(20)12-16(19)15-10-6-7-11-18(15)23-13-17(21-22-23)14-8-4-3-5-9-14/h3-11,13,16H,2,12,20H2,1H3.
What are the key properties of 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine?
1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 90204123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).