8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine

C16H19N5 — CID 79223061

IUPAC8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
SMILESCc1nn(C)c(C)c1CNc1ccc(N)c2cccnc12
InChIInChI=1S/C16H19N5/c1-10-13(11(2)21(3)20-10)9-19-15-7-6-14(17)12-5-4-8-18-16(12)15/h4-8,19H,9,17H2,1-3H3
InChIKeyHFRVBHBHTANPMJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds3

About 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine

8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine (PubChem CID 79223061) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
PubChem CID79223061
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
SMILESCc1nn(C)c(C)c1CNc1ccc(N)c2cccnc12
InChIInChI=1S/C16H19N5/c1-10-13(11(2)21(3)20-10)9-19-15-7-6-14(17)12-5-4-8-18-16(12)15/h4-8,19H,9,17H2,1-3H3
InChIKeyHFRVBHBHTANPMJ-UHFFFAOYSA-N
XLogP2.78
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-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

2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
3-chloro-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 100619549
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
CID 107163030
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 126842216
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine (CID 79223061) is 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine is Cc1nn(C)c(C)c1CNc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine?
The InChIKey is HFRVBHBHTANPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10-13(11(2)21(3)20-10)9-19-15-7-6-14(17)12-5-4-8-18-16(12)15/h4-8,19H,9,17H2,1-3H3.
What are the key properties of 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine?
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 79223061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).