1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine

C17H19N5O — CID 151677843

IUPAC1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
SMILESC1=NC(c2ccc(-c3ncn[nH]3)cc2)=CN(CC2CCCO2)C1
InChIInChI=1S/C17H19N5O/c1-2-15(23-9-1)10-22-8-7-18-16(11-22)13-3-5-14(6-4-13)17-19-12-20-21-17/h3-7,11-12,15H,1-2,8-10H2,(H,19,20,21)
InChIKeyQZXAXWMKZXNBOG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.34
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine

1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine (PubChem CID 151677843) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
PubChem CID151677843
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
SMILESC1=NC(c2ccc(-c3ncn[nH]3)cc2)=CN(CC2CCCO2)C1
InChIInChI=1S/C17H19N5O/c1-2-15(23-9-1)10-22-8-7-18-16(11-22)13-3-5-14(6-4-13)17-19-12-20-21-17/h3-7,11-12,15H,1-2,8-10H2,(H,19,20,21)
InChIKeyQZXAXWMKZXNBOG-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[4-(oxiran-2-ylmethoxy)phenyl]-1H-1,2,4-triazole
CID 88755109
1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
CID 166375087
3-(4-methylphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 125461712
5-(4-bromophenyl)-1H-1,2,4-triazole
CID 46948734
4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 141100116
4-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 40619169
2-(oxolan-2-ylmethyl)-1H-isoquinoline
CID 70984643
4-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 6484109
4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
CID 93480988
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine (CID 151677843) is 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine is C1=NC(c2ccc(-c3ncn[nH]3)cc2)=CN(CC2CCCO2)C1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine?
The InChIKey is QZXAXWMKZXNBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-15(23-9-1)10-22-8-7-18-16(11-22)13-3-5-14(6-4-13)17-19-12-20-21-17/h3-7,11-12,15H,1-2,8-10H2,(H,19,20,21).
What are the key properties of 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine?
1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine has a molecular weight of 309.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine is sourced from PubChem (CID 151677843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).