6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

C11H21N7 — CID 114542312

IUPAC6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NN)nc(N(C)C)n2)C1
InChIInChI=1S/C11H21N7/c1-7-4-5-8(6-7)13-9-14-10(17-12)16-11(15-9)18(2)3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZEFWOYDBLCBJLL-UHFFFAOYSA-N
MW251.34 g/mol
LogP0.82
Rot. Bonds4

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

6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 114542312) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID114542312
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(NN)nc(N(C)C)n2)C1
InChIInChI=1S/C11H21N7/c1-7-4-5-8(6-7)13-9-14-10(17-12)16-11(15-9)18(2)3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZEFWOYDBLCBJLL-UHFFFAOYSA-N
XLogP0.82
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 50.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 114542312) is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(NN)nc(N(C)C)n2)C1.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEFWOYDBLCBJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-7-4-5-8(6-7)13-9-14-10(17-12)16-11(15-9)18(2)3/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.34 g/mol, XLogP of 0.82, 4 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-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114542312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).