[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine

C15H17N5 — CID 82204738

IUPAC[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine
SMILESC=CCn1nnc(CN)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N5/c1-2-7-20-15(14(9-16)18-19-20)8-11-10-17-13-6-4-3-5-12(11)13/h2-6,10,17H,1,7-9,16H2
InChIKeySAAMWUYKOJJSPN-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.99
Rot. Bonds5

About [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine

[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine (PubChem CID 82204738) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine
PubChem CID82204738
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine
SMILESC=CCn1nnc(CN)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N5/c1-2-7-20-15(14(9-16)18-19-20)8-11-10-17-13-6-4-3-5-12(11)13/h2-6,10,17H,1,7-9,16H2
InChIKeySAAMWUYKOJJSPN-UHFFFAOYSA-N
XLogP1.99
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
5-(1H-indol-3-ylmethyl)-1-propyltriazole-4-carboxylic acid
CID 82204836
3-but-3-enyl-1H-indole
CID 57142098
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
5-(1H-indol-3-ylmethyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94946232
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
1-(1H-indol-3-ylmethyl)isoquinoline
CID 24973276

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine?
The IUPAC name of [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine (CID 82204738) is [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine is C=CCn1nnc(CN)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine?
The InChIKey is SAAMWUYKOJJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-7-20-15(14(9-16)18-19-20)8-11-10-17-13-6-4-3-5-12(11)13/h2-6,10,17H,1,7-9,16H2.
What are the key properties of [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine?
[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine is sourced from PubChem (CID 82204738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).