N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine

C12H13N5 — CID 54260739

IUPACN-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
SMILESc1ccc2c(CCNc3cn[nH]n3)c[nH]c2c1
InChIInChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(7-14-11)5-6-13-12-8-15-17-16-12/h1-4,7-8,14H,5-6H2,(H2,13,15,16,17)
InChIKeyRDHXZACUOJOHIG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine

N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine (PubChem CID 54260739) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
PubChem CID54260739
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
SMILESc1ccc2c(CCNc3cn[nH]n3)c[nH]c2c1
InChIInChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(7-14-11)5-6-13-12-8-15-17-16-12/h1-4,7-8,14H,5-6H2,(H2,13,15,16,17)
InChIKeyRDHXZACUOJOHIG-UHFFFAOYSA-N
XLogP1.94
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
CID 95471746
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine (CID 54260739) is N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine is c1ccc2c(CCNc3cn[nH]n3)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine?
The InChIKey is RDHXZACUOJOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(7-14-11)5-6-13-12-8-15-17-16-12/h1-4,7-8,14H,5-6H2,(H2,13,15,16,17).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine has a molecular weight of 227.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine is sourced from PubChem (CID 54260739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).