5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine

C16H14N6 — CID 25164469

IUPAC5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIInChI=1S/C16H14N6/c17-16-13-8-12(6-7-14(13)18-20-16)15-10-22(21-19-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H3,17,18,20)
InChIKeyVBNPWXWJZJNXEY-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.45
Rot. Bonds3

About 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine

5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine (PubChem CID 25164469) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
PubChem CID25164469
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIInChI=1S/C16H14N6/c17-16-13-8-12(6-7-14(13)18-20-16)15-10-22(21-19-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H3,17,18,20)
InChIKeyVBNPWXWJZJNXEY-UHFFFAOYSA-N
XLogP2.45
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 6539529
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl)-1H-indazole
CID 46891529
2-(1h-Indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine
CID 25164883
5-(4-benzyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 25165085
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine (CID 25164469) is 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
The InChIKey is VBNPWXWJZJNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-16-13-8-12(6-7-14(13)18-20-16)15-10-22(21-19-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H3,17,18,20).
What are the key properties of 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine?
5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine has a molecular weight of 290.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 25164469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).