1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol

C9H18N6O2 — CID 80923595

IUPAC1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCOc1nc(NN)nc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-9(2,16)5-15(3)7-11-6(14-10)12-8(13-7)17-4/h16H,5,10H2,1-4H3,(H,11,12,13,14)
InChIKeyXQSVJPFCNZIVJG-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.63
Rot. Bonds5

About 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80923595) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80923595
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCOc1nc(NN)nc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C9H18N6O2/c1-9(2,16)5-15(3)7-11-6(14-10)12-8(13-7)17-4/h16H,5,10H2,1-4H3,(H,11,12,13,14)
InChIKeyXQSVJPFCNZIVJG-UHFFFAOYSA-N
XLogP-0.63
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917120
N-benzyl-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80917380
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-hydrazinyl-N-methyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899333
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80906186
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
4-hydrazinyl-6-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80906839
4-hydrazinyl-6-methoxy-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 80927383
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249098

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol (CID 80923595) is 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol is COc1nc(NN)nc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is XQSVJPFCNZIVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-9(2,16)5-15(3)7-11-6(14-10)12-8(13-7)17-4/h16H,5,10H2,1-4H3,(H,11,12,13,14).
What are the key properties of 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 242.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80923595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).