N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C13H14ClN5 — CID 106282142

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCc1[nH]c2ccccc2c1Cl)c1ncn[nH]1
InChIInChI=1S/C13H14ClN5/c1-8(13-16-7-17-19-13)15-6-11-12(14)9-4-2-3-5-10(9)18-11/h2-5,7-8,15,18H,6H2,1H3,(H,16,17,19)
InChIKeyYCDBZQPRVTUFDX-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.79
Rot. Bonds4

About N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106282142) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106282142
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCc1[nH]c2ccccc2c1Cl)c1ncn[nH]1
InChIInChI=1S/C13H14ClN5/c1-8(13-16-7-17-19-13)15-6-11-12(14)9-4-2-3-5-10(9)18-11/h2-5,7-8,15,18H,6H2,1H3,(H,16,17,19)
InChIKeyYCDBZQPRVTUFDX-UHFFFAOYSA-N
XLogP2.79
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106282142) is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is CC(NCc1[nH]c2ccccc2c1Cl)c1ncn[nH]1.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is YCDBZQPRVTUFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-8(13-16-7-17-19-13)15-6-11-12(14)9-4-2-3-5-10(9)18-11/h2-5,7-8,15,18H,6H2,1H3,(H,16,17,19).
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 275.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106282142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).