6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C10H13N7 — CID 802543

IUPAC6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NN)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H13N7/c1-12-8-14-9(16-10(15-8)17-11)13-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyMSZFYWINVAAFKA-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.94
Rot. Bonds4

About 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 802543) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID802543
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NN)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H13N7/c1-12-8-14-9(16-10(15-8)17-11)13-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyMSZFYWINVAAFKA-UHFFFAOYSA-N
XLogP0.94
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.94
H-Bond Donors ≤ 54
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-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Amanozine
CID 10832
Melarsen oxide
CID 30830
N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 76819
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
4-(Ethylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 778602
6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 802543) is 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CNc1nc(NN)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MSZFYWINVAAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-12-8-14-9(16-10(15-8)17-11)13-7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 802543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).