5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H17N5 — CID 7436049

IUPAC5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(N[C@@H]3C[C@H]3c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C20H17N5/c1-3-7-14(8-4-1)16-11-18(16)23-19-12-17(15-9-5-2-6-10-15)24-20-21-13-22-25(19)20/h1-10,12-13,16,18,23H,11H2/t16-,18+/m0/s1
InChIKeyKMCPBNNIKPFTDB-FUHWJXTLSA-N
MW327.39 g/mol
LogP3.76
Rot. Bonds4

About 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 7436049) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID7436049
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(N[C@@H]3C[C@H]3c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C20H17N5/c1-3-7-14(8-4-1)16-11-18(16)23-19-12-17(15-9-5-2-6-10-15)24-20-21-13-22-25(19)20/h1-10,12-13,16,18,23H,11H2/t16-,18+/m0/s1
InChIKeyKMCPBNNIKPFTDB-FUHWJXTLSA-N
XLogP3.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265
N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 98212138
5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 100664223
5-phenyl-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292343
5-phenyl-N-[3-(pyrazol-1-ylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139017552
2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376377
5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353393
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345012
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 133275678
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227263

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 7436049) is 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(N[C@@H]3C[C@H]3c3ccccc3)n3ncnc3n2)cc1.
What is the InChIKey of 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KMCPBNNIKPFTDB-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H17N5/c1-3-7-14(8-4-1)16-11-18(16)23-19-12-17(15-9-5-2-6-10-15)24-20-21-13-22-25(19)20/h1-10,12-13,16,18,23H,11H2/t16-,18+/m0/s1.
What are the key properties of 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 7436049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).