4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine

C13H24N4 — CID 61098218

IUPAC4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine
SMILESCc1nnc(N(C)C(C)C(C)C)c(CN)c1C
InChIInChI=1S/C13H24N4/c1-8(2)11(5)17(6)13-12(7-14)9(3)10(4)15-16-13/h8,11H,7,14H2,1-6H3
InChIKeyQHIUTSFUUXWPCX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.03
Rot. Bonds4

About 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine

4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine (PubChem CID 61098218) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine
PubChem CID61098218
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine
SMILESCc1nnc(N(C)C(C)C(C)C)c(CN)c1C
InChIInChI=1S/C13H24N4/c1-8(2)11(5)17(6)13-12(7-14)9(3)10(4)15-16-13/h8,11H,7,14H2,1-6H3
InChIKeyQHIUTSFUUXWPCX-UHFFFAOYSA-N
XLogP2.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 47054754
3-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 56817331
5,6-Dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535189
3-[2-(Azepan-1-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 32878096
3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36721664
5,6-Diethyl-3-[4-(4-methylpiperazin-1-yl)butylamino]pyridazine-4-carbonitrile
CID 75379455
6-(aminomethyl)-N,N-bis(2-fluoroethyl)-4-methylpyridazin-3-amine
CID 145361154
5,6-Dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyridazine-4-carbonitrile
CID 45833898
5,6-Dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 47151224
4-(aminomethyl)-5,6-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006492
4-(aminomethyl)-5,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006781
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006874

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine (CID 61098218) is 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine is Cc1nnc(N(C)C(C)C(C)C)c(CN)c1C.
What is the InChIKey of 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine?
The InChIKey is QHIUTSFUUXWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)11(5)17(6)13-12(7-14)9(3)10(4)15-16-13/h8,11H,7,14H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine?
4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 61098218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).