1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one

C21H23N7O2 — CID 90099988

IUPAC1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCOC1CCC(N2c3nccnc3N(c3ccccc3)C(=O)C2c2ncn[nH]2)CC1
InChIInChI=1S/C21H23N7O2/c1-30-16-9-7-15(8-10-16)27-17(18-24-13-25-26-18)21(29)28(14-5-3-2-4-6-14)20-19(27)22-11-12-23-20/h2-6,11-13,15-17H,7-10H2,1H3,(H,24,25,26)
InChIKeyCBROZDBPJGEDNV-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one

1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one (PubChem CID 90099988) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
PubChem CID90099988
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCOC1CCC(N2c3nccnc3N(c3ccccc3)C(=O)C2c2ncn[nH]2)CC1
InChIInChI=1S/C21H23N7O2/c1-30-16-9-7-15(8-10-16)27-17(18-24-13-25-26-18)21(29)28(14-5-3-2-4-6-14)20-19(27)22-11-12-23-20/h2-6,11-13,15-17H,7-10H2,1H3,(H,24,25,26)
InChIKeyCBROZDBPJGEDNV-UHFFFAOYSA-N
XLogP2.78
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
CID 90100153
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CID 66716343
5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
CID 90099434
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CID 128975087
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 128990463
4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
CID 90099550
3-[2-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 128982702
5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
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CID 121360958
2-(2,3-dihydroindol-1-yl)-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985139
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
1-(4-methoxycyclohexyl)imidazol-2-amine
CID 165480135

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one (CID 90099988) is 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one is COC1CCC(N2c3nccnc3N(c3ccccc3)C(=O)C2c2ncn[nH]2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The InChIKey is CBROZDBPJGEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-30-16-9-7-15(8-10-16)27-17(18-24-13-25-26-18)21(29)28(14-5-3-2-4-6-14)20-19(27)22-11-12-23-20/h2-6,11-13,15-17H,7-10H2,1H3,(H,24,25,26).
What are the key properties of 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one has a molecular weight of 405.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 90099988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).