N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C11H17N7 — CID 107465309

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(NN)ncc1C
InChIInChI=1S/C11H17N7/c1-4-8-9(6-18(3)17-8)14-10-7(2)5-13-11(15-10)16-12/h5-6H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyJNGAUCVAGFAEQJ-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.11
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 107465309) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID107465309
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(NN)ncc1C
InChIInChI=1S/C11H17N7/c1-4-8-9(6-18(3)17-8)14-10-7(2)5-13-11(15-10)16-12/h5-6H,4,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyJNGAUCVAGFAEQJ-UHFFFAOYSA-N
XLogP1.11
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 102807839
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrazin-2-amine
CID 107465301
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
CID 107464313
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 107465233

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 107465309) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is CCc1nn(C)cc1Nc1nc(NN)ncc1C.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is JNGAUCVAGFAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-4-8-9(6-18(3)17-8)14-10-7(2)5-13-11(15-10)16-12/h5-6H,4,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 247.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107465309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).