3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C23H17N7 — CID 130209308

IUPAC3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1c(-c2cc3nnc(-c4nc5ccccc5[nH]4)c(N)n3n2)ccc2ccccc12
InChIInChI=1S/C23H17N7/c1-13-15-7-3-2-6-14(15)10-11-16(13)19-12-20-27-28-21(22(24)30(20)29-19)23-25-17-8-4-5-9-18(17)26-23/h2-12H,24H2,1H3,(H,25,26)
InChIKeyMAKOOZPQSHLPAB-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.38
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 130209308) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID130209308
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCc1c(-c2cc3nnc(-c4nc5ccccc5[nH]4)c(N)n3n2)ccc2ccccc12
InChIInChI=1S/C23H17N7/c1-13-15-7-3-2-6-14(15)10-11-16(13)19-12-20-27-28-21(22(24)30(20)29-19)23-25-17-8-4-5-9-18(17)26-23/h2-12H,24H2,1H3,(H,25,26)
InChIKeyMAKOOZPQSHLPAB-UHFFFAOYSA-N
XLogP4.38
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 130209308) is 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is Cc1c(-c2cc3nnc(-c4nc5ccccc5[nH]4)c(N)n3n2)ccc2ccccc12.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is MAKOOZPQSHLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-13-15-7-3-2-6-14(15)10-11-16(13)19-12-20-27-28-21(22(24)30(20)29-19)23-25-17-8-4-5-9-18(17)26-23/h2-12H,24H2,1H3,(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 391.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 130209308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).