6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

C15H22N8O3 — CID 67307318

IUPAC6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H22N8O3/c1-20-6-8-23(9-7-20)5-4-16-13(24)11-17-10-12(19-18-11)21(2)15(26)22(3)14(10)25/h4-9H2,1-3H3,(H,16,24)
InChIKeyBIWXSJKDJVSVMQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP-2.60
Rot. Bonds4

About 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (PubChem CID 67307318) has the molecular formula C15H22N8O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
PubChem CID67307318
Molecular FormulaC15H22N8O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC Name6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H22N8O3/c1-20-6-8-23(9-7-20)5-4-16-13(24)11-17-10-12(19-18-11)21(2)15(26)22(3)14(10)25/h4-9H2,1-3H3,(H,16,24)
InChIKeyBIWXSJKDJVSVMQ-UHFFFAOYSA-N
XLogP-2.60
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67308236
N-[3-(diethylamino)propyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67308003
6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 10733418
1,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78867565
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 30885393
6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 14823832
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523251
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The IUPAC name of 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (CID 67307318) is 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is CN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C)CC1.
What is the InChIKey of 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
The InChIKey is BIWXSJKDJVSVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3/c1-20-6-8-23(9-7-20)5-4-16-13(24)11-17-10-12(19-18-11)21(2)15(26)22(3)14(10)25/h4-9H2,1-3H3,(H,16,24).
What are the key properties of 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?
6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of -2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 67307318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).