6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine

C13H20N6 — CID 114536169

IUPAC6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
SMILESCc1cc(C)n(CCCNc2ccc(N)c(N)n2)n1
InChIInChI=1S/C13H20N6/c1-9-8-10(2)19(18-9)7-3-6-16-12-5-4-11(14)13(15)17-12/h4-5,8H,3,6-7,14H2,1-2H3,(H3,15,16,17)
InChIKeyJJVAKBZYVMOFPQ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.56
Rot. Bonds5

About 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine

6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine (PubChem CID 114536169) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
PubChem CID114536169
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
SMILESCc1cc(C)n(CCCNc2ccc(N)c(N)n2)n1
InChIInChI=1S/C13H20N6/c1-9-8-10(2)19(18-9)7-3-6-16-12-5-4-11(14)13(15)17-12/h4-5,8H,3,6-7,14H2,1-2H3,(H3,15,16,17)
InChIKeyJJVAKBZYVMOFPQ-UHFFFAOYSA-N
XLogP1.56
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine (CID 114536169) is 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine is Cc1cc(C)n(CCCNc2ccc(N)c(N)n2)n1.
What is the InChIKey of 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine?
The InChIKey is JJVAKBZYVMOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-8-10(2)19(18-9)7-3-6-16-12-5-4-11(14)13(15)17-12/h4-5,8H,3,6-7,14H2,1-2H3,(H3,15,16,17).
What are the key properties of 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine?
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine has a molecular weight of 260.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 114536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).