4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

C23H23N7 — CID 66712962

IUPAC4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCCC1c2nncn2-c2cnc(N[C@@H](C)c3ccccc3)nc2N1c1ccccc1
InChIInChI=1S/C23H23N7/c1-3-19-22-28-25-15-29(22)20-14-24-23(26-16(2)17-10-6-4-7-11-17)27-21(20)30(19)18-12-8-5-9-13-18/h4-16,19H,3H2,1-2H3,(H,24,26,27)/t16-,19?/m0/s1
InChIKeyWTSFPSQXDHYQMV-UCFFOFKASA-N
MW397.49 g/mol
LogP4.83
Rot. Bonds5

About 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (PubChem CID 66712962) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.

Molecular Properties

Compound Name4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
PubChem CID66712962
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCCC1c2nncn2-c2cnc(N[C@@H](C)c3ccccc3)nc2N1c1ccccc1
InChIInChI=1S/C23H23N7/c1-3-19-22-28-25-15-29(22)20-14-24-23(26-16(2)17-10-6-4-7-11-17)27-21(20)30(19)18-12-8-5-9-13-18/h4-16,19H,3H2,1-2H3,(H,24,26,27)/t16-,19?/m0/s1
InChIKeyWTSFPSQXDHYQMV-UCFFOFKASA-N
XLogP4.83
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158639375
5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 158045627
(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979961
3-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979737
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
CID 24890789
(4R)-7-chloro-5-(1-cyclopropylethyl)-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223274
4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979514
4-[4-ethyl-7-[5-(4-fluorophenyl)-1,2-thiazol-4-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979779
4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide
CID 66672556
9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine
CID 67396135

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The IUPAC name of 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (CID 66712962) is 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.
What is the SMILES notation for 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The canonical SMILES for 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is CCC1c2nncn2-c2cnc(N[C@@H](C)c3ccccc3)nc2N1c1ccccc1.
What is the InChIKey of 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The InChIKey is WTSFPSQXDHYQMV-UCFFOFKASA-N. The full InChI is InChI=1S/C23H23N7/c1-3-19-22-28-25-15-29(22)20-14-24-23(26-16(2)17-10-6-4-7-11-17)27-21(20)30(19)18-12-8-5-9-13-18/h4-16,19H,3H2,1-2H3,(H,24,26,27)/t16-,19?/m0/s1.
What are the key properties of 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine has a molecular weight of 397.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is sourced from PubChem (CID 66712962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).