4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine

C18H17N7 — CID 1472689

IUPAC4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1
InChIInChI=1S/C18H17N7/c1-13-22-23-18(24(13)12-14-7-9-20-10-8-14)16-11-21-25(17(16)19)15-5-3-2-4-6-15/h2-11H,12,19H2,1H3
InChIKeyDCPVTLDYHLTUSX-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.46
Rot. Bonds4

About 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine

4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine (PubChem CID 1472689) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
PubChem CID1472689
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1
InChIInChI=1S/C18H17N7/c1-13-22-23-18(24(13)12-14-7-9-20-10-8-14)16-11-21-25(17(16)19)15-5-3-2-4-6-15/h2-11H,12,19H2,1H3
InChIKeyDCPVTLDYHLTUSX-UHFFFAOYSA-N
XLogP2.46
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine (CID 1472689) is 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine is Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1.
What is the InChIKey of 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The InChIKey is DCPVTLDYHLTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-13-22-23-18(24(13)12-14-7-9-20-10-8-14)16-11-21-25(17(16)19)15-5-3-2-4-6-15/h2-11H,12,19H2,1H3.
What are the key properties of 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine has a molecular weight of 331.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 1472689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).