6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine

C14H15N5 — CID 82881645

IUPAC6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
SMILESCn1ccc(CNc2ccc3ncccc3c2N)n1
InChIInChI=1S/C14H15N5/c1-19-8-6-10(18-19)9-17-13-5-4-12-11(14(13)15)3-2-7-16-12/h2-8,17H,9,15H2,1H3
InChIKeyKATAIYUBIIGZKD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.16
Rot. Bonds3

About 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine

6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine (PubChem CID 82881645) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
PubChem CID82881645
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
SMILESCn1ccc(CNc2ccc3ncccc3c2N)n1
InChIInChI=1S/C14H15N5/c1-19-8-6-10(18-19)9-17-13-5-4-12-11(14(13)15)3-2-7-16-12/h2-8,17H,9,15H2,1H3
InChIKeyKATAIYUBIIGZKD-UHFFFAOYSA-N
XLogP2.16
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
6-N-ethylquinoline-5,6-diamine
CID 43809532
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 82872539
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine (CID 82881645) is 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine is Cn1ccc(CNc2ccc3ncccc3c2N)n1.
What is the InChIKey of 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine?
The InChIKey is KATAIYUBIIGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-8-6-10(18-19)9-17-13-5-4-12-11(14(13)15)3-2-7-16-12/h2-8,17H,9,15H2,1H3.
What are the key properties of 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine?
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine is sourced from PubChem (CID 82881645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).