6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine

C13H27N7 — CID 102909000

IUPAC6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(CNc1nc(NN)nc(N(C)C)n1)C(C)C
InChIInChI=1S/C13H27N7/c1-8(2)10(9(3)4)7-15-11-16-12(19-14)18-13(17-11)20(5)6/h8-10H,7,14H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyDMTKQPNWIKOKPY-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.56
Rot. Bonds7

About 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine

6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 102909000) has the molecular formula C13H27N7 and a molecular weight of 281.41 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID102909000
Molecular FormulaC13H27N7
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(CNc1nc(NN)nc(N(C)C)n1)C(C)C
InChIInChI=1S/C13H27N7/c1-8(2)10(9(3)4)7-15-11-16-12(19-14)18-13(17-11)20(5)6/h8-10H,7,14H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyDMTKQPNWIKOKPY-UHFFFAOYSA-N
XLogP1.56
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159895
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80921975
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106043693
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]acetamide
CID 80932664
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80897844
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80929618
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine (CID 102909000) is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine is CC(C)C(CNc1nc(NN)nc(N(C)C)n1)C(C)C.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DMTKQPNWIKOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7/c1-8(2)10(9(3)4)7-15-11-16-12(19-14)18-13(17-11)20(5)6/h8-10H,7,14H2,1-6H3,(H2,15,16,17,18,19).
What are the key properties of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 102909000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).