N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine

C14H24N4O2S — CID 62282275

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C14H24N4O2S/c1-11(2)8-15-9-12-4-5-14(17-16-12)18(3)13-6-7-21(19,20)10-13/h4-5,11,13,15H,6-10H2,1-3H3
InChIKeyBTQWWOKGAQDSFT-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.85
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine (PubChem CID 62282275) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
PubChem CID62282275
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C14H24N4O2S/c1-11(2)8-15-9-12-4-5-14(17-16-12)18(3)13-6-7-21(19,20)10-13/h4-5,11,13,15H,6-10H2,1-3H3
InChIKeyBTQWWOKGAQDSFT-UHFFFAOYSA-N
XLogP0.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199
1-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043036
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109111581
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanesulfonamide
CID 113043038
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62284182
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100
N-cyclopropyl-N-(2-methoxyethyl)-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62292853
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110428
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine (CID 62282275) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine is CC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The InChIKey is BTQWWOKGAQDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)8-15-9-12-4-5-14(17-16-12)18(3)13-6-7-21(19,20)10-13/h4-5,11,13,15H,6-10H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine has a molecular weight of 312.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62282275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).