[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine

C19H19N5 — CID 94943128

IUPAC[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N5/c20-11-18-19(10-15-12-21-17-9-5-4-8-16(15)17)24(23-22-18)13-14-6-2-1-3-7-14/h1-9,12,21H,10-11,13,20H2
InChIKeyDVCVJMUQWJTLAI-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.86
Rot. Bonds5

About [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine

[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine (PubChem CID 94943128) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
PubChem CID94943128
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccccc2)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N5/c20-11-18-19(10-15-12-21-17-9-5-4-8-16(15)17)24(23-22-18)13-14-6-2-1-3-7-14/h1-9,12,21H,10-11,13,20H2
InChIKeyDVCVJMUQWJTLAI-UHFFFAOYSA-N
XLogP2.86
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204738
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
5-(1H-indol-3-ylmethyl)-1-propyltriazole-4-carboxylic acid
CID 82204836
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
5-(1H-indol-3-ylmethyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94946232
3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 141167256
N-(2-benzylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 17467956
2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
CID 127052472
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine (CID 94943128) is [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine is NCc1nnn(Cc2ccccc2)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is DVCVJMUQWJTLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c20-11-18-19(10-15-12-21-17-9-5-4-8-16(15)17)24(23-22-18)13-14-6-2-1-3-7-14/h1-9,12,21H,10-11,13,20H2.
What are the key properties of [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine?
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 317.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94943128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).