5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile

C20H22N6O — CID 137248323

IUPAC5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)c(C#N)c1CC
InChIInChI=1S/C20H22N6O/c1-4-13-15(11-21)19(25-24-16(13)5-2)26(6-3)12-18-22-17-10-8-7-9-14(17)20(27)23-18/h7-10H,4-6,12H2,1-3H3,(H,22,23,27)
InChIKeyNRXYVDHRDVQJAF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.74
Rot. Bonds6

About 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile (PubChem CID 137248323) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile
PubChem CID137248323
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)c(C#N)c1CC
InChIInChI=1S/C20H22N6O/c1-4-13-15(11-21)19(25-24-16(13)5-2)26(6-3)12-18-22-17-10-8-7-9-14(17)20(27)23-18/h7-10H,4-6,12H2,1-3H3,(H,22,23,27)
InChIKeyNRXYVDHRDVQJAF-UHFFFAOYSA-N
XLogP2.74
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
CID 80508574
2-[[ethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]-3H-quinazolin-4-one
CID 137272373
2-[[ethyl-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 154770794
N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide
CID 137289762
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504557
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
CID 135697728
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
CID 135991285
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile (CID 137248323) is 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile is CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
The InChIKey is NRXYVDHRDVQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-4-13-15(11-21)19(25-24-16(13)5-2)26(6-3)12-18-22-17-10-8-7-9-14(17)20(27)23-18/h7-10H,4-6,12H2,1-3H3,(H,22,23,27).
What are the key properties of 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 137248323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).