[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine

C14H17N5 — CID 66407495

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCc1nnc(Cn2cc(CN)c3ccccc32)n1C
InChIInChI=1S/C14H17N5/c1-10-16-17-14(18(10)2)9-19-8-11(7-15)12-5-3-4-6-13(12)19/h3-6,8H,7,9,15H2,1-2H3
InChIKeyIVLWZSOQHAQTMR-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.59
Rot. Bonds3

About [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine (PubChem CID 66407495) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
PubChem CID66407495
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCc1nnc(Cn2cc(CN)c3ccccc32)n1C
InChIInChI=1S/C14H17N5/c1-10-16-17-14(18(10)2)9-19-8-11(7-15)12-5-3-4-6-13(12)19/h3-6,8H,7,9,15H2,1-2H3
InChIKeyIVLWZSOQHAQTMR-UHFFFAOYSA-N
XLogP1.59
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine (CID 66407495) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine is Cc1nnc(Cn2cc(CN)c3ccccc32)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine?
The InChIKey is IVLWZSOQHAQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-16-17-14(18(10)2)9-19-8-11(7-15)12-5-3-4-6-13(12)19/h3-6,8H,7,9,15H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66407495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).