5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H15N7O — CID 80688716

IUPAC5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCc2cnn(C)c2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H15N7O/c1-8-15-10(5-11-16-17-12(20)19(8)11)13-4-3-9-6-14-18(2)7-9/h5-7,13H,3-4H2,1-2H3,(H,17,20)
InChIKeyKTRBMWZYIYUCPQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.11
Rot. Bonds4

About 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 80688716) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID80688716
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCc2cnn(C)c2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H15N7O/c1-8-15-10(5-11-16-17-12(20)19(8)11)13-4-3-9-6-14-18(2)7-9/h5-7,13H,3-4H2,1-2H3,(H,17,20)
InChIKeyKTRBMWZYIYUCPQ-UHFFFAOYSA-N
XLogP0.11
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79755757
5-methyl-7-(2-methylsulfanylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283954
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
7-(3-chlorobutylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277078
5-methyl-7-(pent-4-enylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114264773
7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115366008
7-[3-(2-hydroxyethoxy)propylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106306812
4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976486
7-[[3-(chloromethyl)phenyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277079
5-methyl-7-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114694689
5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282773
5-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106402667

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 80688716) is 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCCc2cnn(C)c2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KTRBMWZYIYUCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-8-15-10(5-11-16-17-12(20)19(8)11)13-4-3-9-6-14-18(2)7-9/h5-7,13H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 273.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 80688716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).