trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine

C21H19N5 — CID 175039189

IUPACtrans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc4ncccc34)nn2)cc1
InChIInChI=1S/C21H19N5/c1-2-6-15(7-3-1)18-12-20(18)23-13-16-14-26(25-24-16)21-10-4-9-19-17(21)8-5-11-22-19/h1-11,14,18,20,23H,12-13H2/t18-,20+/m0/s1
InChIKeyHAAYKWZTVMKASZ-AZUAARDMSA-N
MW341.42 g/mol
LogP3.46
Rot. Bonds5

About trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 175039189) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID175039189
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc4ncccc34)nn2)cc1
InChIInChI=1S/C21H19N5/c1-2-6-15(7-3-1)18-12-20(18)23-13-16-14-26(25-24-16)21-10-4-9-19-17(21)8-5-11-22-19/h1-11,14,18,20,23H,12-13H2/t18-,20+/m0/s1
InChIKeyHAAYKWZTVMKASZ-AZUAARDMSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine with MolForge

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Related Compounds

Ly-364947
CID 447966
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CID 5289508
6-Phenyl-5-[5-[3-[2-(1,2,3,4-Tetrahydroacridin-9-Ylamino)ethyl]-1,2,3-Triazol-4-Yl]pentyl]phenanthridin-5-Ium-3,8-Diamine
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Marinoquinoline C
CID 52952004
Marinoquinoline E
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CID 10573193
N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]pyridin-4-amine dihydrochloride
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N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]pyridin-4-amine dihydrochloride
CID 10598755

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine (CID 175039189) is trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc4ncccc34)nn2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is HAAYKWZTVMKASZ-AZUAARDMSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-6-15(7-3-1)18-12-20(18)23-13-16-14-26(25-24-16)21-10-4-9-19-17(21)8-5-11-22-19/h1-11,14,18,20,23H,12-13H2/t18-,20+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 341.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 175039189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).