[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine

C23H19N7 — CID 67001793

IUPAC[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
SMILESCc1nc(-c2ccc3nc(-c4ccc(CN)cc4)c(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C23H19N7/c1-14-25-23(30-29-14)19-12-11-18-22(27-19)28-21(16-5-3-2-4-6-16)20(26-18)17-9-7-15(13-24)8-10-17/h2-12H,13,24H2,1H3,(H,25,29,30)
InChIKeyKHQUJZPMRUKYEM-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.91
Rot. Bonds4

About [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine

[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine (PubChem CID 67001793) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
PubChem CID67001793
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine
SMILESCc1nc(-c2ccc3nc(-c4ccc(CN)cc4)c(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C23H19N7/c1-14-25-23(30-29-14)19-12-11-18-22(27-19)28-21(16-5-3-2-4-6-16)20(26-18)17-9-7-15(13-24)8-10-17/h2-12H,13,24H2,1H3,(H,25,29,30)
InChIKeyKHQUJZPMRUKYEM-UHFFFAOYSA-N
XLogP3.91
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 173110678
1-[4-[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]-2-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]ethane-1,2-diamine
CID 90725213
[amino-[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-2-phenylpyrido[2,3-b]pyrazin-3-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 67001788
[4-(5-phenyl-2H-triazol-4-yl)phenyl]methanamine
CID 174848978
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
3-[4-(aminomethyl)phenyl]-6-bromo-2-phenylquinoxalin-5-ol
CID 136649032
[4-[3-phenyl-6-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232469
5-methyl-3-(4-phenoxyphenyl)-1H-1,2,4-triazole
CID 44516316
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
[4-[3-phenyl-5-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524544

Frequently Asked Questions

What is the IUPAC name of [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine (CID 67001793) is [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine is Cc1nc(-c2ccc3nc(-c4ccc(CN)cc4)c(-c4ccccc4)nc3n2)n[nH]1.
What is the InChIKey of [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine?
The InChIKey is KHQUJZPMRUKYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-14-25-23(30-29-14)19-12-11-18-22(27-19)28-21(16-5-3-2-4-6-16)20(26-18)17-9-7-15(13-24)8-10-17/h2-12H,13,24H2,1H3,(H,25,29,30).
What are the key properties of [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine?
[4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine has a molecular weight of 393.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylpyrido[2,3-b]pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 67001793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).