7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine

C16H16N8 — CID 137417972

IUPAC7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
SMILESNc1cc(NCCn2cncn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H16N8/c17-16-8-14(19-5-6-24-10-18-9-21-24)12-2-1-11(7-15(12)22-16)13-3-4-20-23-13/h1-4,7-10H,5-6H2,(H,20,23)(H3,17,19,22)
InChIKeyAMJKDWOPBUQLOS-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.91
Rot. Bonds5

About 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine

7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine (PubChem CID 137417972) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
PubChem CID137417972
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
SMILESNc1cc(NCCn2cncn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H16N8/c17-16-8-14(19-5-6-24-10-18-9-21-24)12-2-1-11(7-15(12)22-16)13-3-4-20-23-13/h1-4,7-10H,5-6H2,(H,20,23)(H3,17,19,22)
InChIKeyAMJKDWOPBUQLOS-UHFFFAOYSA-N
XLogP1.91
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine (CID 137417972) is 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine is Nc1cc(NCCn2cncn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
The InChIKey is AMJKDWOPBUQLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c17-16-8-14(19-5-6-24-10-18-9-21-24)12-2-1-11(7-15(12)22-16)13-3-4-20-23-13/h1-4,7-10H,5-6H2,(H,20,23)(H3,17,19,22).
What are the key properties of 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine?
7-(1H-pyrazol-5-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 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine is sourced from PubChem (CID 137417972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).