5-methyl-N-pent-3-ynylpyridazin-3-amine

C10H13N3 — CID 106550017

IUPAC5-methyl-N-pent-3-ynylpyridazin-3-amine
SMILESCC#CCCNc1cc(C)cnn1
InChIInChI=1S/C10H13N3/c1-3-4-5-6-11-10-7-9(2)8-12-13-10/h7-8H,5-6H2,1-2H3,(H,11,13)
InChIKeyAAHIUOTXHWGKRN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.61
Rot. Bonds3

About 5-methyl-N-pent-3-ynylpyridazin-3-amine

5-methyl-N-pent-3-ynylpyridazin-3-amine (PubChem CID 106550017) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-N-pent-3-ynylpyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-pent-3-ynylpyridazin-3-amine
PubChem CID106550017
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-methyl-N-pent-3-ynylpyridazin-3-amine
SMILESCC#CCCNc1cc(C)cnn1
InChIInChI=1S/C10H13N3/c1-3-4-5-6-11-10-7-9(2)8-12-13-10/h7-8H,5-6H2,1-2H3,(H,11,13)
InChIKeyAAHIUOTXHWGKRN-UHFFFAOYSA-N
XLogP1.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644585
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
CID 106430681
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-3-ynylpyridazin-3-amine?
The IUPAC name of 5-methyl-N-pent-3-ynylpyridazin-3-amine (CID 106550017) is 5-methyl-N-pent-3-ynylpyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-pent-3-ynylpyridazin-3-amine?
The canonical SMILES for 5-methyl-N-pent-3-ynylpyridazin-3-amine is CC#CCCNc1cc(C)cnn1.
What is the InChIKey of 5-methyl-N-pent-3-ynylpyridazin-3-amine?
The InChIKey is AAHIUOTXHWGKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-6-11-10-7-9(2)8-12-13-10/h7-8H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-pent-3-ynylpyridazin-3-amine?
5-methyl-N-pent-3-ynylpyridazin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-3-ynylpyridazin-3-amine is sourced from PubChem (CID 106550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).