1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile

C13H15N7O2 — CID 95288438

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@H]2CCc3ncnn3C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N7O2/c1-18-11(9(5-14)12(21)19(2)13(18)22)17-8-3-4-10-15-7-16-20(10)6-8/h7-8,17H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCCXLNJPOLPUAAD-QMMMGPOBSA-N
MW301.31 g/mol
LogP-1.03
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile (PubChem CID 95288438) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
PubChem CID95288438
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@H]2CCc3ncnn3C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N7O2/c1-18-11(9(5-14)12(21)19(2)13(18)22)17-8-3-4-10-15-7-16-20(10)6-8/h7-8,17H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyCCXLNJPOLPUAAD-QMMMGPOBSA-N
XLogP-1.03
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
CID 95341786
4-bromo-2-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyridazin-3-one
CID 86942836
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017646
1,3-dimethyl-2,4-dioxo-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017645
2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296827
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
N-(6-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281563
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95322257
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
N-(3-methyl-5-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281537

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile (CID 95288438) is 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile is Cn1c(N[C@H]2CCc3ncnn3C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The InChIKey is CCXLNJPOLPUAAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-18-11(9(5-14)12(21)19(2)13(18)22)17-8-3-4-10-15-7-16-20(10)6-8/h7-8,17H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95288438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).