2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine

C14H17N5 — CID 107053881

IUPAC2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
SMILESCn1cc(Cn2ccc3ccc(CCN)cc32)nn1
InChIInChI=1S/C14H17N5/c1-18-9-13(16-17-18)10-19-7-5-12-3-2-11(4-6-15)8-14(12)19/h2-3,5,7-9H,4,6,10,15H2,1H3
InChIKeyWCCMBCLEILTZMT-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine

2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine (PubChem CID 107053881) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
PubChem CID107053881
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
SMILESCn1cc(Cn2ccc3ccc(CCN)cc32)nn1
InChIInChI=1S/C14H17N5/c1-18-9-13(16-17-18)10-19-7-5-12-3-2-11(4-6-15)8-14(12)19/h2-3,5,7-9H,4,6,10,15H2,1H3
InChIKeyWCCMBCLEILTZMT-UHFFFAOYSA-N
XLogP1.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620
2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
CID 107053865
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
CID 107309943
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
CID 106720970
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
CID 102917439
2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
1-[(1-methyltriazol-4-yl)methyl]indole-4-carbonitrile
CID 114015841
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine?
The IUPAC name of 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine (CID 107053881) is 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine is Cn1cc(Cn2ccc3ccc(CCN)cc32)nn1.
What is the InChIKey of 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine?
The InChIKey is WCCMBCLEILTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18-9-13(16-17-18)10-19-7-5-12-3-2-11(4-6-15)8-14(12)19/h2-3,5,7-9H,4,6,10,15H2,1H3.
What are the key properties of 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine?
2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine is sourced from PubChem (CID 107053881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).