N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine

C12H17N3 — CID 106177646

IUPACN-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCCC2=CCCC2)c1
InChIInChI=1S/C12H17N3/c1-10-8-12(15-14-9-10)13-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,13,15)
InChIKeyZHSKAULQKMXLEJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine

N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine (PubChem CID 106177646) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
PubChem CID106177646
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCCC2=CCCC2)c1
InChIInChI=1S/C12H17N3/c1-10-8-12(15-14-9-10)13-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,13,15)
InChIKeyZHSKAULQKMXLEJ-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943199
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942979
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112943156
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943058
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103844181

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine (CID 106177646) is N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCCC2=CCCC2)c1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine?
The InChIKey is ZHSKAULQKMXLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-8-12(15-14-9-10)13-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine?
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine has a molecular weight of 203.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106177646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).