N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H20N8 — CID 80904002

IUPACN-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(CC(C)(C)C)c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-12(2,3)8-19(4)10-15-9(18-13)16-11(17-10)20-7-5-6-14-20/h5-7H,8,13H2,1-4H3,(H,15,16,17,18)
InChIKeyMMIPXYPBPWQSSS-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.83
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80904002) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80904002
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(CC(C)(C)C)c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C12H20N8/c1-12(2,3)8-19(4)10-15-9(18-13)16-11(17-10)20-7-5-6-14-20/h5-7H,8,13H2,1-4H3,(H,15,16,17,18)
InChIKeyMMIPXYPBPWQSSS-UHFFFAOYSA-N
XLogP0.83
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894041
N-ethyl-4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80900789
4-hydrazinyl-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80918881
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80902251
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
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
2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819898

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80904002) is N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CN(CC(C)(C)C)c1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MMIPXYPBPWQSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-12(2,3)8-19(4)10-15-9(18-13)16-11(17-10)20-7-5-6-14-20/h5-7H,8,13H2,1-4H3,(H,15,16,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80904002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).