4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine

C14H16N6 — CID 103963489

IUPAC4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
SMILESCn1cnc(CCNc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C14H16N6/c1-20-9-18-13(19-20)6-7-16-14-10-4-2-3-5-12(10)17-8-11(14)15/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyXYEPCMBYKFPSDN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.60
Rot. Bonds4

About 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine

4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine (PubChem CID 103963489) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
PubChem CID103963489
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
SMILESCn1cnc(CCNc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C14H16N6/c1-20-9-18-13(19-20)6-7-16-14-10-4-2-3-5-12(10)17-8-11(14)15/h2-5,8-9H,6-7,15H2,1H3,(H,16,17)
InChIKeyXYEPCMBYKFPSDN-UHFFFAOYSA-N
XLogP1.60
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
2-methyl-3-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,3-diamine
CID 80681480
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
4-chloro-1-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 80680586

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine (CID 103963489) is 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine is Cn1cnc(CCNc2c(N)cnc3ccccc23)n1.
What is the InChIKey of 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine?
The InChIKey is XYEPCMBYKFPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20-9-18-13(19-20)6-7-16-14-10-4-2-3-5-12(10)17-8-11(14)15/h2-5,8-9H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine?
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 103963489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).