4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C20H21N7 — CID 54584597

IUPAC4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4C)ccn3)cc2)n1
InChIInChI=1S/C20H21N7/c1-13-12-26(4)25-20(13)16-9-10-21-19(11-16)23-17-5-7-18(8-6-17)27-15(3)22-14(2)24-27/h5-12H,1-4H3,(H,21,23)
InChIKeyVRFLASTXVGXXTO-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.73
Rot. Bonds4

About 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 54584597) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID54584597
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4C)ccn3)cc2)n1
InChIInChI=1S/C20H21N7/c1-13-12-26(4)25-20(13)16-9-10-21-19(11-16)23-17-5-7-18(8-6-17)27-15(3)22-14(2)24-27/h5-12H,1-4H3,(H,21,23)
InChIKeyVRFLASTXVGXXTO-UHFFFAOYSA-N
XLogP3.73
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 54584597) is 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4C)ccn3)cc2)n1.
What is the InChIKey of 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is VRFLASTXVGXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-13-12-26(4)25-20(13)16-9-10-21-19(11-16)23-17-5-7-18(8-6-17)27-15(3)22-14(2)24-27/h5-12H,1-4H3,(H,21,23).
What are the key properties of 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-3-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 54584597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).