3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine

C8H10N6O — CID 91579699

IUPAC3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine
SMILESCOCc1nc(-c2nccnc2N)n[nH]1
InChIInChI=1S/C8H10N6O/c1-15-4-5-12-8(14-13-5)6-7(9)11-3-2-10-6/h2-3H,4H2,1H3,(H2,9,11)(H,12,13,14)
InChIKeyLOGHDAIHFHZWGT-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.01
Rot. Bonds3

About 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine

3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine (PubChem CID 91579699) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine
PubChem CID91579699
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine
SMILESCOCc1nc(-c2nccnc2N)n[nH]1
InChIInChI=1S/C8H10N6O/c1-15-4-5-12-8(14-13-5)6-7(9)11-3-2-10-6/h2-3H,4H2,1H3,(H2,9,11)(H,12,13,14)
InChIKeyLOGHDAIHFHZWGT-UHFFFAOYSA-N
XLogP-0.01
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)acetate
CID 39860347
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
3-Morpholino-5-(6-morpholinopyrazin-2-yl)[1,2,4]triazole
CID 11197906
1-(3-(Pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 16677922
2-methoxy-6-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 71593360
2-methoxy-6-[5-(6-methoxypyrazin-2-yl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 71593361
2-(1-Methyl-1$l^{5},2,4-triazacyclopenta-2,5-dien-3-yl)pyrazine
CID 71593362
2-Methoxy-6-(1-methyl-1$l^{5},2,4-triazacyclopenta-2,5-dien-3-yl)pyrazine
CID 71593363
2-(1,5-Dimethyl-1$l^{5},2,4-triazacyclopenta-2,5-dien-3-yl)pyrazine
CID 71593388
2-(1,5-Dimethyl-1$l^{5},2,4-triazacyclopenta-2,5-dien-3-yl)-6-methoxy-pyrazine
CID 71593389
5-Amino-3-(2-pyrazinyl)-1H-1,2,4-triazole
CID 3826939
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrazine
CID 22563365

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine?
The IUPAC name of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine (CID 91579699) is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine?
The canonical SMILES for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine is COCc1nc(-c2nccnc2N)n[nH]1.
What is the InChIKey of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine?
The InChIKey is LOGHDAIHFHZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-15-4-5-12-8(14-13-5)6-7(9)11-3-2-10-6/h2-3H,4H2,1H3,(H2,9,11)(H,12,13,14).
What are the key properties of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine?
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine has a molecular weight of 206.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 91579699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).