(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol

C12H16N6O — CID 1282511

IUPAC(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol
SMILESCC1(C)CN(CO)c2nnc(-c3cnccn3)n2C1
InChIInChI=1S/C12H16N6O/c1-12(2)6-17(8-19)11-16-15-10(18(11)7-12)9-5-13-3-4-14-9/h3-5,19H,6-8H2,1-2H3
InChIKeyRFGGSZZCZUYVIX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.53
Rot. Bonds2

About (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol

(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol (PubChem CID 1282511) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol.

Molecular Properties

Compound Name(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol
PubChem CID1282511
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol
SMILESCC1(C)CN(CO)c2nnc(-c3cnccn3)n2C1
InChIInChI=1S/C12H16N6O/c1-12(2)6-17(8-19)11-16-15-10(18(11)7-12)9-5-13-3-4-14-9/h3-5,19H,6-8H2,1-2H3
InChIKeyRFGGSZZCZUYVIX-UHFFFAOYSA-N
XLogP0.53
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-(Methoxymethyl)-4-methylpiperidin-1-yl]-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
CID 136572943
2-[4-Ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
CID 136572944
(2R)-4-(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
CID 171359709
3-(2-Pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 1282503
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 12143099
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidin-6-ol
CID 12143102
8-Acetyl-6,6-dimethyl-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 1282509
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)pyrazine
CID 18726597
tert-butyl 6-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402321
(S)-tert-butyl 6-methyl-3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402323
3-(Pyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 90402494
tert-butyl 3-(pyrazin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 90402528

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol?
The IUPAC name of (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol (CID 1282511) is (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol.
What is the SMILES notation for (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol?
The canonical SMILES for (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol is CC1(C)CN(CO)c2nnc(-c3cnccn3)n2C1.
What is the InChIKey of (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol?
The InChIKey is RFGGSZZCZUYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-12(2)6-17(8-19)11-16-15-10(18(11)7-12)9-5-13-3-4-14-9/h3-5,19H,6-8H2,1-2H3.
What are the key properties of (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol?
(6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol has a molecular weight of 260.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-3-pyrazin-2-yl-5,7-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl)methanol is sourced from PubChem (CID 1282511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).