1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol

C10H16N8O2 — CID 80911229

IUPAC1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H16N8O2/c1-20-6-7(19)5-12-8-14-9(17-11)16-10(15-8)18-4-2-3-13-18/h2-4,7,19H,5-6,11H2,1H3,(H2,12,14,15,16,17)
InChIKeyBQJMBWQPJPFIJZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP-1.24
Rot. Bonds7

About 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol

1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol (PubChem CID 80911229) has the molecular formula C10H16N8O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
PubChem CID80911229
Molecular FormulaC10H16N8O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H16N8O2/c1-20-6-7(19)5-12-8-14-9(17-11)16-10(15-8)18-4-2-3-13-18/h2-4,7,19H,5-6,11H2,1H3,(H2,12,14,15,16,17)
InChIKeyBQJMBWQPJPFIJZ-UHFFFAOYSA-N
XLogP-1.24
TPSA136.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
4-hydrazinyl-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80918881
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol (CID 80911229) is 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is BQJMBWQPJPFIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O2/c1-20-6-7(19)5-12-8-14-9(17-11)16-10(15-8)18-4-2-3-13-18/h2-4,7,19H,5-6,11H2,1H3,(H2,12,14,15,16,17).
What are the key properties of 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 280.29 g/mol, XLogP of -1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80911229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).