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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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).