7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine

C16H16N8 — CID 137417898

IUPAC7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
SMILESNc1cc(NCCn2cncn2)c2ccc(-n3cccn3)cc2n1
InChIInChI=1S/C16H16N8/c17-16-9-14(19-5-7-23-11-18-10-21-23)13-3-2-12(8-15(13)22-16)24-6-1-4-20-24/h1-4,6,8-11H,5,7H2,(H3,17,19,22)
InChIKeyWVQYRRLEVLVXJW-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.71
Rot. Bonds5

About 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine

7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine (PubChem CID 137417898) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine.

Molecular Properties

Compound Name7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
PubChem CID137417898
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
SMILESNc1cc(NCCn2cncn2)c2ccc(-n3cccn3)cc2n1
InChIInChI=1S/C16H16N8/c17-16-9-14(19-5-7-23-11-18-10-21-23)13-3-2-12(8-15(13)22-16)24-6-1-4-20-24/h1-4,6,8-11H,5,7H2,(H3,17,19,22)
InChIKeyWVQYRRLEVLVXJW-UHFFFAOYSA-N
XLogP1.71
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine
CID 159709747
7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
CID 137417972
6-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine;ethane
CID 156801749
7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;N-methylbutan-1-amine;4-N-[2-(oxan-4-yl)ethyl]-7-pyrazol-1-ylquinoline-2,4-diamine;1H-pyrazole
CID 167688421
2-chloro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62562957
4-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62562427
6-hydrazinyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2,5-diamine
CID 145270329
3-[(2-amino-3-methanimidoyl-7-pyrazol-1-ylquinolin-4-yl)amino]propan-1-ol
CID 170385422
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
CID 61463009
2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 134698161
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168

Frequently Asked Questions

What is the IUPAC name of 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The IUPAC name of 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine (CID 137417898) is 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine.
What is the SMILES notation for 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The canonical SMILES for 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine is Nc1cc(NCCn2cncn2)c2ccc(-n3cccn3)cc2n1.
What is the InChIKey of 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The InChIKey is WVQYRRLEVLVXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c17-16-9-14(19-5-7-23-11-18-10-21-23)13-3-2-12(8-15(13)22-16)24-6-1-4-20-24/h1-4,6,8-11H,5,7H2,(H3,17,19,22).
What are the key properties of 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine has a molecular weight of 320.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrazol-1-yl-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine is sourced from PubChem (CID 137417898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).