N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine

C19H25N5 — CID 18796590

IUPACN-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine
SMILESc1cc2ccn(CCCNC3CCCCC3)c2cc1-n1cnnc1
InChIInChI=1S/C19H25N5/c1-2-5-17(6-3-1)20-10-4-11-23-12-9-16-7-8-18(13-19(16)23)24-14-21-22-15-24/h7-9,12-15,17,20H,1-6,10-11H2
InChIKeyOTJSHDBDDXMAOC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.53
Rot. Bonds6

About N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine

N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine (PubChem CID 18796590) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine
PubChem CID18796590
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine
SMILESc1cc2ccn(CCCNC3CCCCC3)c2cc1-n1cnnc1
InChIInChI=1S/C19H25N5/c1-2-5-17(6-3-1)20-10-4-11-23-12-9-16-7-8-18(13-19(16)23)24-14-21-22-15-24/h7-9,12-15,17,20H,1-6,10-11H2
InChIKeyOTJSHDBDDXMAOC-UHFFFAOYSA-N
XLogP3.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]aniline
CID 19361591
1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole
CID 18796514
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
1-[3-(cyclohexylamino)propyl]indole-5-carbonitrile
CID 107920048
1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole;dihydrochloride
CID 18796608
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-[2-(5-fluoroindol-1-yl)ethyl]cyclohexanamine
CID 55256214

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine?
The IUPAC name of N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine (CID 18796590) is N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine?
The canonical SMILES for N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine is c1cc2ccn(CCCNC3CCCCC3)c2cc1-n1cnnc1.
What is the InChIKey of N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine?
The InChIKey is OTJSHDBDDXMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-2-5-17(6-3-1)20-10-4-11-23-12-9-16-7-8-18(13-19(16)23)24-14-21-22-15-24/h7-9,12-15,17,20H,1-6,10-11H2.
What are the key properties of N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine?
N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine has a molecular weight of 323.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]cyclohexanamine is sourced from PubChem (CID 18796590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).