3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C14H17N7O2 — CID 138008438

IUPAC3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCOc1nc(C)cc(N(C)Cc2nnc3c(=O)n(C)ccn23)n1
InChIInChI=1S/C14H17N7O2/c1-9-7-10(16-14(15-9)23-4)20(3)8-11-17-18-12-13(22)19(2)5-6-21(11)12/h5-7H,8H2,1-4H3
InChIKeyGQVNRUIEAWCIBC-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.17
Rot. Bonds4

About 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 138008438) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID138008438
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCOc1nc(C)cc(N(C)Cc2nnc3c(=O)n(C)ccn23)n1
InChIInChI=1S/C14H17N7O2/c1-9-7-10(16-14(15-9)23-4)20(3)8-11-17-18-12-13(22)19(2)5-6-21(11)12/h5-7H,8H2,1-4H3
InChIKeyGQVNRUIEAWCIBC-UHFFFAOYSA-N
XLogP0.17
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 166265388
N-methyl-N-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]sulfamoyl fluoride
CID 166414336
2-methoxy-N,6-dimethyl-N-(pyrimidin-2-ylmethyl)pyrimidin-4-amine
CID 138019222
2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 122052125
3-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-methylamino]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138008450
N,2,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 126805477
3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide
CID 77407750
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126894959
N-[(2-methoxy-6-methylpyrimidin-4-yl)methyl]-N-methylhydroxylamine
CID 82601677
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 171324254
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
CID 116896890
2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 138008438) is 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is COc1nc(C)cc(N(C)Cc2nnc3c(=O)n(C)ccn23)n1.
What is the InChIKey of 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is GQVNRUIEAWCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-9-7-10(16-14(15-9)23-4)20(3)8-11-17-18-12-13(22)19(2)5-6-21(11)12/h5-7H,8H2,1-4H3.
What are the key properties of 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 315.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 138008438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).