4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine

C12H22N6O — CID 80925563

IUPAC4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC2CCCCCC2C)n1
InChIInChI=1S/C12H22N6O/c1-8-6-4-3-5-7-9(8)14-10-15-11(18-13)17-12(16-10)19-2/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyPCIRJZDPDPDKRU-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.55
Rot. Bonds4

About 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine (PubChem CID 80925563) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
PubChem CID80925563
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC2CCCCCC2C)n1
InChIInChI=1S/C12H22N6O/c1-8-6-4-3-5-7-9(8)14-10-15-11(18-13)17-12(16-10)19-2/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyPCIRJZDPDPDKRU-UHFFFAOYSA-N
XLogP1.55
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.55
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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Related Compounds

4-hydrazinyl-N-(2-methylcycloheptyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80925544
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
N-(2,3-dimethylcyclopentyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80915750
4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine
CID 114124081
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80938212
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80778304
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
CID 62861608
4-hydrazinyl-6-methoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80895205
(4-cyclohexyloxy-6-methoxy-1,3,5-triazin-2-yl)hydrazine
CID 80910649
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine (CID 80925563) is 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine is COc1nc(NN)nc(NC2CCCCCC2C)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine?
The InChIKey is PCIRJZDPDPDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8-6-4-3-5-7-9(8)14-10-15-11(18-13)17-12(16-10)19-2/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80925563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).