N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline

C17H15N5 — CID 75386381

IUPACN-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline
SMILESc1cc(NCc2cccc3[nH]ccc23)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H15N5/c1-3-12(17-20-11-21-22-17)9-14(5-1)19-10-13-4-2-6-16-15(13)7-8-18-16/h1-9,11,18-19H,10H2,(H,20,21,22)
InChIKeyOIPSYXZSHLAPIM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.57
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline

N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline (PubChem CID 75386381) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline
PubChem CID75386381
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline
SMILESc1cc(NCc2cccc3[nH]ccc23)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H15N5/c1-3-12(17-20-11-21-22-17)9-14(5-1)19-10-13-4-2-6-16-15(13)7-8-18-16/h1-9,11,18-19H,10H2,(H,20,21,22)
InChIKeyOIPSYXZSHLAPIM-UHFFFAOYSA-N
XLogP3.57
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline?
The IUPAC name of N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline (CID 75386381) is N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline is c1cc(NCc2cccc3[nH]ccc23)cc(-c2ncn[nH]2)c1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline?
The InChIKey is OIPSYXZSHLAPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-3-12(17-20-11-21-22-17)9-14(5-1)19-10-13-4-2-6-16-15(13)7-8-18-16/h1-9,11,18-19H,10H2,(H,20,21,22).
What are the key properties of N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline?
N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline has a molecular weight of 289.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)aniline is sourced from PubChem (CID 75386381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).