6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol

C17H17N7O — CID 129134921

IUPAC6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol
SMILESCc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)NC1(CC1)C(O)N2
InChIInChI=1S/C17H17N7O/c1-9-6-10(13-19-8-20-24-13)2-3-11(9)12-7-18-14-15(21-12)23-17(4-5-17)16(25)22-14/h2-3,6-8,16,25H,4-5H2,1H3,(H,18,22)(H,21,23)(H,19,20,24)
InChIKeySNVWMIHUJYAGJF-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.93
Rot. Bonds2

About 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol

6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol (PubChem CID 129134921) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol.

Molecular Properties

Compound Name6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol
PubChem CID129134921
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol
SMILESCc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)NC1(CC1)C(O)N2
InChIInChI=1S/C17H17N7O/c1-9-6-10(13-19-8-20-24-13)2-3-11(9)12-7-18-14-15(21-12)23-17(4-5-17)16(25)22-14/h2-3,6-8,16,25H,4-5H2,1H3,(H,18,22)(H,21,23)(H,19,20,24)
InChIKeySNVWMIHUJYAGJF-UHFFFAOYSA-N
XLogP1.93
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol with MolForge

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Related Compounds

3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 66607734
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-4-(oxan-4-ylmethyl)spiro[1H-pyrazino[2,3-b]pyrazine-3,1'-cyclobutane]-2-one;molecular hydrogen
CID 158185285
5-(3-iodo-4-methylphenyl)-1H-1,2,4-triazole
CID 58170519
2,2-dimethyl-5-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-1-[2-(oxan-4-yl)ethyl]pyrazine
CID 70654147
5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66604035
8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
cyclopropanamine;4-methyl-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzoic acid
CID 68636729
cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
CID 159260556
6-(1H-1,2,4-triazol-5-yl)-1,2-benzothiazole
CID 67415178
1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
CID 173185148
8-[[(1R,3S)-3-methoxycyclopentyl]methyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 52933729
8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214722

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol?
The IUPAC name of 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol (CID 129134921) is 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol.
What is the SMILES notation for 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol?
The canonical SMILES for 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol is Cc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)NC1(CC1)C(O)N2.
What is the InChIKey of 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol?
The InChIKey is SNVWMIHUJYAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-9-6-10(13-19-8-20-24-13)2-3-11(9)12-7-18-14-15(21-12)23-17(4-5-17)16(25)22-14/h2-3,6-8,16,25H,4-5H2,1H3,(H,18,22)(H,21,23)(H,19,20,24).
What are the key properties of 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol?
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol has a molecular weight of 335.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol is sourced from PubChem (CID 129134921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).