2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H20N6O — CID 80663942

IUPAC2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNc1cc(C)nc(Cn2nc3n(c2=O)CCCC3)n1
InChIInChI=1S/C14H20N6O/c1-3-15-11-8-10(2)16-12(17-11)9-20-14(21)19-7-5-4-6-13(19)18-20/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyJUHSFTUTUKCHGW-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.96
Rot. Bonds4

About 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 80663942) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID80663942
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNc1cc(C)nc(Cn2nc3n(c2=O)CCCC3)n1
InChIInChI=1S/C14H20N6O/c1-3-15-11-8-10(2)16-12(17-11)9-20-14(21)19-7-5-4-6-13(19)18-20/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyJUHSFTUTUKCHGW-UHFFFAOYSA-N
XLogP0.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 80663942) is 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNc1cc(C)nc(Cn2nc3n(c2=O)CCCC3)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JUHSFTUTUKCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-15-11-8-10(2)16-12(17-11)9-20-14(21)19-7-5-4-6-13(19)18-20/h8H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 288.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 80663942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).