2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine

C16H19ClN6 — CID 166848645

IUPAC2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine
SMILESCc1nnn(-c2ccc(Cl)cc2)c1CN1CC=C(N(C)C)C=N1
InChIInChI=1S/C16H19ClN6/c1-12-16(11-22-9-8-15(10-18-22)21(2)3)23(20-19-12)14-6-4-13(17)5-7-14/h4-8,10H,9,11H2,1-3H3
InChIKeyRZLBYNLAYPXJEO-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.48
Rot. Bonds4

About 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine

2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine (PubChem CID 166848645) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine
PubChem CID166848645
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine
SMILESCc1nnn(-c2ccc(Cl)cc2)c1CN1CC=C(N(C)C)C=N1
InChIInChI=1S/C16H19ClN6/c1-12-16(11-22-9-8-15(10-18-22)21(2)3)23(20-19-12)14-6-4-13(17)5-7-14/h4-8,10H,9,11H2,1-3H3
InChIKeyRZLBYNLAYPXJEO-UHFFFAOYSA-N
XLogP2.48
TPSA49.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-one
CID 157046434
1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine
CID 539378
4-chloro-1-(4-chlorophenyl)-5-methyltriazole
CID 177125096
4-(chloromethyl)-5-(4-chlorophenyl)-1-(4-methylphenyl)triazole
CID 56769724
1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carbonitrile
CID 82200799
1-(4-chlorophenyl)-5-methoxy-3-methylpyrazole
CID 2318102
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
1-[1-(4-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431508
[2-(4-chlorophenyl)-5-methylpyrazol-3-yl] acetate
CID 121015739
ethyl 1-(4-chlorophenyl)-6-methyl-5-oxo-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate
CID 1234426
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine?
The IUPAC name of 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine (CID 166848645) is 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine is Cc1nnn(-c2ccc(Cl)cc2)c1CN1CC=C(N(C)C)C=N1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine?
The InChIKey is RZLBYNLAYPXJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-12-16(11-22-9-8-15(10-18-22)21(2)3)23(20-19-12)14-6-4-13(17)5-7-14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine?
2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine has a molecular weight of 330.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-5-methyltriazol-4-yl]methyl]-N,N-dimethyl-3H-pyridazin-5-amine is sourced from PubChem (CID 166848645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).