3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one

C18H25N5O — CID 133472543

IUPAC3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2nc(C)nc3c2CCCC3)c1CC
InChIInChI=1S/C18H25N5O/c1-4-12-14(18(24)23-22-15(12)5-2)10-19-17-13-8-6-7-9-16(13)20-11(3)21-17/h4-10H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyCGHRFUOIXOGPEI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.48
Rot. Bonds5

About 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one

3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one (PubChem CID 133472543) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
PubChem CID133472543
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CNc2nc(C)nc3c2CCCC3)c1CC
InChIInChI=1S/C18H25N5O/c1-4-12-14(18(24)23-22-15(12)5-2)10-19-17-13-8-6-7-9-16(13)20-11(3)21-17/h4-10H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyCGHRFUOIXOGPEI-UHFFFAOYSA-N
XLogP2.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one (CID 133472543) is 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CNc2nc(C)nc3c2CCCC3)c1CC.
What is the InChIKey of 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
The InChIKey is CGHRFUOIXOGPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-12-14(18(24)23-22-15(12)5-2)10-19-17-13-8-6-7-9-16(13)20-11(3)21-17/h4-10H2,1-3H3,(H,23,24)(H,19,20,21).
What are the key properties of 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one?
3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 133472543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).