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

C12H20N6O — CID 66283189

IUPAC7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC(CN)CC(C)C)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H20N6O/c1-7(2)4-9(6-13)15-10-5-11-16-17-12(19)18(11)8(3)14-10/h5,7,9,15H,4,6,13H2,1-3H3,(H,17,19)
InChIKeyJJAXTRUNPYMHLK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.51
Rot. Bonds5

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

7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283189) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283189
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC(CN)CC(C)C)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H20N6O/c1-7(2)4-9(6-13)15-10-5-11-16-17-12(19)18(11)8(3)14-10/h5,7,9,15H,4,6,13H2,1-3H3,(H,17,19)
InChIKeyJJAXTRUNPYMHLK-UHFFFAOYSA-N
XLogP0.51
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

5-methyl-7-(4-methylpentan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282766
7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282959
5-methyl-7-(3-methylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283150
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
7-[(2-amino-1-phenylethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66275357
methyl 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanoate
CID 66283154
7-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283565
7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283546
7-[1-(4-aminophenyl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283775
7-(3-chlorobutylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277078
7-[(2-amino-3-hydroxybutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283383
5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282680

Frequently Asked Questions

What is the IUPAC name of 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283189) is 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC(CN)CC(C)C)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is JJAXTRUNPYMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-7(2)4-9(6-13)15-10-5-11-16-17-12(19)18(11)8(3)14-10/h5,7,9,15H,4,6,13H2,1-3H3,(H,17,19).
What are the key properties of 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-amino-4-methylpentan-2-yl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).