4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine

C9H14N8O — CID 80896292

IUPAC4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCn2cccn2)n1
InChIInChI=1S/C9H14N8O/c1-18-9-14-7(13-8(15-9)16-10)11-4-6-17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16)
InChIKeyYKRBBDJAUYYBRB-UHFFFAOYSA-N
MW250.27 g/mol
LogP-0.53
Rot. Bonds6

About 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 80896292) has the molecular formula C9H14N8O and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
PubChem CID80896292
Molecular FormulaC9H14N8O
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCn2cccn2)n1
InChIInChI=1S/C9H14N8O/c1-18-9-14-7(13-8(15-9)16-10)11-4-6-17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16)
InChIKeyYKRBBDJAUYYBRB-UHFFFAOYSA-N
XLogP-0.53
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-pyrazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80896522
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 114133549
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412556

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine (CID 80896292) is 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCCn2cccn2)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is YKRBBDJAUYYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O/c1-18-9-14-7(13-8(15-9)16-10)11-4-6-17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 250.27 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80896292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).