(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol

C10H13N5O3 — CID 112735965

IUPAC(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
SMILESCOc1cnc(C(O)c2cn(C)nn2)c(OC)n1
InChIInChI=1S/C10H13N5O3/c1-15-5-6(13-14-15)9(16)8-10(18-3)12-7(17-2)4-11-8/h4-5,9,16H,1-3H3
InChIKeyNPJUYKWSPYSHIN-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.30
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol

(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol (PubChem CID 112735965) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
PubChem CID112735965
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
SMILESCOc1cnc(C(O)c2cn(C)nn2)c(OC)n1
InChIInChI=1S/C10H13N5O3/c1-15-5-6(13-14-15)9(16)8-10(18-3)12-7(17-2)4-11-8/h4-5,9,16H,1-3H3
InChIKeyNPJUYKWSPYSHIN-UHFFFAOYSA-N
XLogP-0.30
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol (CID 112735965) is (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol is COc1cnc(C(O)c2cn(C)nn2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol?
The InChIKey is NPJUYKWSPYSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-15-5-6(13-14-15)9(16)8-10(18-3)12-7(17-2)4-11-8/h4-5,9,16H,1-3H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol?
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol has a molecular weight of 251.25 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 112735965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).