4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine

C13H14N6 — CID 83060979

IUPAC4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
SMILESNc1cccc2c(NCCc3ncn[nH]3)ccnc12
InChIInChI=1S/C13H14N6/c14-10-3-1-2-9-11(4-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8H,5,7,14H2,(H,15,16)(H,17,18,19)
InChIKeyYTGACYYKKDNLQP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.59
Rot. Bonds4

About 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine

4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine (PubChem CID 83060979) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
PubChem CID83060979
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
SMILESNc1cccc2c(NCCc3ncn[nH]3)ccnc12
InChIInChI=1S/C13H14N6/c14-10-3-1-2-9-11(4-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8H,5,7,14H2,(H,15,16)(H,17,18,19)
InChIKeyYTGACYYKKDNLQP-UHFFFAOYSA-N
XLogP1.59
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
3-methoxy-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2-diamine
CID 113392706
3-methyl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 102713442
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-8-amine
CID 64529666
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2,4-triamine
CID 106750886
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine (CID 83060979) is 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine is Nc1cccc2c(NCCc3ncn[nH]3)ccnc12.
What is the InChIKey of 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine?
The InChIKey is YTGACYYKKDNLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-10-3-1-2-9-11(4-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8H,5,7,14H2,(H,15,16)(H,17,18,19).
What are the key properties of 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine?
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 83060979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).