6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

C16H18N8O2 — CID 167560703

IUPAC6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(N)cc1Nc1cccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C16H18N8O2/c1-18-16(25)14-11(7-13(17)21-22-14)20-10-6-4-5-9(15(10)26-3)12-8-19-24(2)23-12/h4-8H,1-3H3,(H,18,25)(H3,17,20,21)
InChIKeySAVGXKFVRDLZJX-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.97
Rot. Bonds5

About 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167560703) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID167560703
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(N)cc1Nc1cccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C16H18N8O2/c1-18-16(25)14-11(7-13(17)21-22-14)20-10-6-4-5-9(15(10)26-3)12-8-19-24(2)23-12/h4-8H,1-3H3,(H,18,25)(H3,17,20,21)
InChIKeySAVGXKFVRDLZJX-UHFFFAOYSA-N
XLogP0.97
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 167560703) is 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(N)cc1Nc1cccc(-c2cnn(C)n2)c1OC.
What is the InChIKey of 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is SAVGXKFVRDLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-18-16(25)14-11(7-13(17)21-22-14)20-10-6-4-5-9(15(10)26-3)12-8-19-24(2)23-12/h4-8H,1-3H3,(H,18,25)(H3,17,20,21).
What are the key properties of 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167560703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).