6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine

C10H13N7 — CID 80844619

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCn3cnnc3C2)ncn1
InChIInChI=1S/C10H13N7/c1-11-8-4-9(13-6-12-8)16-2-3-17-7-14-15-10(17)5-16/h4,6-7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyRKXNUJNAJHBLDV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.13
Rot. Bonds2

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine (PubChem CID 80844619) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
PubChem CID80844619
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCn3cnnc3C2)ncn1
InChIInChI=1S/C10H13N7/c1-11-8-4-9(13-6-12-8)16-2-3-17-7-14-15-10(17)5-16/h4,6-7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyRKXNUJNAJHBLDV-UHFFFAOYSA-N
XLogP0.13
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
CID 80830821
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129331963
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775768
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 64579643
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine (CID 80844619) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine is CNc1cc(N2CCn3cnnc3C2)ncn1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine?
The InChIKey is RKXNUJNAJHBLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-11-8-4-9(13-6-12-8)16-2-3-17-7-14-15-10(17)5-16/h4,6-7H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine has a molecular weight of 231.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).