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

C10H17N9O — CID 80922653

IUPAC1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C10H17N9O/c1-10(2,20)4-18(3)8-14-7(17-11)15-9(16-8)19-6-12-5-13-19/h5-6,20H,4,11H2,1-3H3,(H,14,15,16,17)
InChIKeyGPVOEPFPWFJAEK-UHFFFAOYSA-N
MW279.31 g/mol
LogP-1.05
Rot. Bonds5

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

1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 80922653) has the molecular formula C10H17N9O and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID80922653
Molecular FormulaC10H17N9O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C10H17N9O/c1-10(2,20)4-18(3)8-14-7(17-11)15-9(16-8)19-6-12-5-13-19/h5-6,20H,4,11H2,1-3H3,(H,14,15,16,17)
InChIKeyGPVOEPFPWFJAEK-UHFFFAOYSA-N
XLogP-1.05
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
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-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818894
N-ethyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900792
4-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 81062932
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80900254
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
[4-(2-methylbut-3-yn-2-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 113461427

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol (CID 80922653) is 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(NN)nc(-n2cncn2)n1.
What is the InChIKey of 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is GPVOEPFPWFJAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9O/c1-10(2,20)4-18(3)8-14-7(17-11)15-9(16-8)19-6-12-5-13-19/h5-6,20H,4,11H2,1-3H3,(H,14,15,16,17).
What are the key properties of 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol?
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 279.31 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80922653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).