6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide

C18H25N9O — CID 88994960

IUPAC6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)nn1
InChIInChI=1S/C18H25N9O/c1-4-8-19-16(28)13-6-7-15(25-24-13)21-17-20-14(5-2)22-18(23-17)27-11-9-26(3)10-12-27/h4,6-7H,1,5,8-12H2,2-3H3,(H,19,28)(H,20,21,22,23,25)
InChIKeyPTQWJLFUYJNMOK-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.64
Rot. Bonds7

About 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 88994960) has the molecular formula C18H25N9O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID88994960
Molecular FormulaC18H25N9O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)nn1
InChIInChI=1S/C18H25N9O/c1-4-8-19-16(28)13-6-7-15(25-24-13)21-17-20-14(5-2)22-18(23-17)27-11-9-26(3)10-12-27/h4,6-7H,1,5,8-12H2,2-3H3,(H,19,28)(H,20,21,22,23,25)
InChIKeyPTQWJLFUYJNMOK-UHFFFAOYSA-N
XLogP0.64
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
CID 88995125
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
CID 70816172
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 70815764
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 70815544
6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110549
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]octan-1-one
CID 161152258
6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110487
1-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]pent-4-yn-1-one
CID 159698682

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide (CID 88994960) is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2nc(CC)nc(N3CCN(C)CC3)n2)nn1.
What is the InChIKey of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is PTQWJLFUYJNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9O/c1-4-8-19-16(28)13-6-7-15(25-24-13)21-17-20-14(5-2)22-18(23-17)27-11-9-26(3)10-12-27/h4,6-7H,1,5,8-12H2,2-3H3,(H,19,28)(H,20,21,22,23,25).
What are the key properties of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide?
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 88994960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).