3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine

C12H17N7O — CID 11022129

IUPAC3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine
SMILESC/C(=N\OCCc1nnc(NN)n1N)c1ccccc1
InChIInChI=1S/C12H17N7O/c1-9(10-5-3-2-4-6-10)18-20-8-7-11-16-17-12(15-13)19(11)14/h2-6H,7-8,13-14H2,1H3,(H,15,17)/b18-9+
InChIKeyFFQUEWDPBDBCMW-GIJQJNRQSA-N
MW275.32 g/mol
LogP0.26
Rot. Bonds6

About 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine

3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine (PubChem CID 11022129) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine
PubChem CID11022129
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine
SMILESC/C(=N\OCCc1nnc(NN)n1N)c1ccccc1
InChIInChI=1S/C12H17N7O/c1-9(10-5-3-2-4-6-10)18-20-8-7-11-16-17-12(15-13)19(11)14/h2-6H,7-8,13-14H2,1H3,(H,15,17)/b18-9+
InChIKeyFFQUEWDPBDBCMW-GIJQJNRQSA-N
XLogP0.26
TPSA116.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954312
4-amino-3-[[(E)-1-phenylethylideneamino]oxymethyl]-1H-1,2,4-triazole-5-thione
CID 10563514
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
4-amino-3-[2-(benzhydrylideneamino)oxyethyl]-1H-1,2,4-triazole-5-thione
CID 10593180
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742
N-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethoxy]-1,1-diphenylmethanimine
CID 10915454
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
5-benzylsulfanyl-3-N-[(Z)-1-phenylethylideneamino]-1,2,4-triazole-3,4-diamine
CID 28693681
(1-phenylethylideneamino)thiourea
CID 912962

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine (CID 11022129) is 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine is C/C(=N\OCCc1nnc(NN)n1N)c1ccccc1.
What is the InChIKey of 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine?
The InChIKey is FFQUEWDPBDBCMW-GIJQJNRQSA-N. The full InChI is InChI=1S/C12H17N7O/c1-9(10-5-3-2-4-6-10)18-20-8-7-11-16-17-12(15-13)19(11)14/h2-6H,7-8,13-14H2,1H3,(H,15,17)/b18-9+.
What are the key properties of 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine?
3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine has a molecular weight of 275.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 11022129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).