trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine

C18H18N4 — CID 164624543

IUPACtrans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4/c1-3-7-14(8-4-1)17-11-18(17)19-12-15-13-22(21-20-15)16-9-5-2-6-10-16/h1-10,13,17-19H,11-12H2/t17-,18+/m0/s1
InChIKeyHMSMHWFPGOAYPC-ZWKOTPCHSA-N
MW290.37 g/mol
LogP2.91
Rot. Bonds5

About trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 164624543) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID164624543
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4/c1-3-7-14(8-4-1)17-11-18(17)19-12-15-13-22(21-20-15)16-9-5-2-6-10-16/h1-10,13,17-19H,11-12H2/t17-,18+/m0/s1
InChIKeyHMSMHWFPGOAYPC-ZWKOTPCHSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine (CID 164624543) is trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is HMSMHWFPGOAYPC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-7-14(8-4-1)17-11-18(17)19-12-15-13-22(21-20-15)16-9-5-2-6-10-16/h1-10,13,17-19H,11-12H2/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 290.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 164624543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).