cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate

C14H22N4O2 — CID 154772846

IUPACcyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
SMILESO=C(NCCNc1cccnn1)OCC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(20-11-12-5-2-1-3-6-12)16-10-9-15-13-7-4-8-17-18-13/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,18)(H,16,19)
InChIKeySBAYIHOLPTVHAS-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.19
Rot. Bonds6

About cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate

cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate (PubChem CID 154772846) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
PubChem CID154772846
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namecyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
SMILESO=C(NCCNc1cccnn1)OCC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(20-11-12-5-2-1-3-6-12)16-10-9-15-13-7-4-8-17-18-13/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,18)(H,16,19)
InChIKeySBAYIHOLPTVHAS-UHFFFAOYSA-N
XLogP2.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
N-(2-cyclopentylethyl)pyridazin-3-amine
CID 62482015
N-(2-cyclobutylethyl)pyridazin-3-amine
CID 115689977
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
cyclohexylmethyl N-[2-[[amino-(2-sulfanylphenyl)methylidene]amino]ethyl]carbamate
CID 163837568
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
N-[(2-aminocyclohexyl)methyl]pyridazin-3-amine
CID 64928861
3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol
CID 130736450
cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate
CID 154652727
2-(cyclohexylmethoxycarbonylamino)acetic acid
CID 66620693
cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
cyclohexylmethyl N-quinolin-7-ylcarbamate
CID 69258697

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The IUPAC name of cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate (CID 154772846) is cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate is O=C(NCCNc1cccnn1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
The InChIKey is SBAYIHOLPTVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(20-11-12-5-2-1-3-6-12)16-10-9-15-13-7-4-8-17-18-13/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,18)(H,16,19).
What are the key properties of cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate?
cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 154772846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).