5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H19N7O — CID 66282609

IUPAC5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCN2CCNCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H19N7O/c1-9-15-10(8-11-16-17-12(20)19(9)11)14-4-7-18-5-2-13-3-6-18/h8,13-14H,2-7H2,1H3,(H,17,20)
InChIKeyMMORSNIIFVVXQI-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.96
Rot. Bonds4

About 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282609) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282609
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCN2CCNCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H19N7O/c1-9-15-10(8-11-16-17-12(20)19(9)11)14-4-7-18-5-2-13-3-6-18/h8,13-14H,2-7H2,1H3,(H,17,20)
InChIKeyMMORSNIIFVVXQI-UHFFFAOYSA-N
XLogP-0.96
TPSA90.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-7-(3-methylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283150
5-methyl-7-(4,4,4-trifluorobutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115520580
7-(hexylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281415
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
5-methyl-7-[2-(1-methylpyrazol-3-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106105503
5-methyl-7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114697378
5-methyl-7-[2-(2-methylphenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79755757
7-[3-(2-hydroxyethoxy)propylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106306812
5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282680
7-[(5-hydroxy-2,2-dimethylpentyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106144949
5-methyl-7-(1H-pyrazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282773

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282609) is 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCCN2CCNCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MMORSNIIFVVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-9-15-10(8-11-16-17-12(20)19(9)11)14-4-7-18-5-2-13-3-6-18/h8,13-14H,2-7H2,1H3,(H,17,20).
What are the key properties of 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 277.33 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).