[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide

C12H16N7- — CID 135737239

IUPAC[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESCCN(CC)c1ccc(/C=N\[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C12H16N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H-,14,15,16,17,18)/q-1/b13-9-
InChIKeyLULHVPYKXQEZKH-LCYFTJDESA-N
MW258.31 g/mol
LogP2.09
Rot. Bonds6

About [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide

[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide (PubChem CID 135737239) has the molecular formula C12H16N7- and a molecular weight of 258.31 g/mol. Its IUPAC name is [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide
PubChem CID135737239
Molecular FormulaC12H16N7-
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide
SMILESCCN(CC)c1ccc(/C=N\[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C12H16N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H-,14,15,16,17,18)/q-1/b13-9-
InChIKeyLULHVPYKXQEZKH-LCYFTJDESA-N
XLogP2.09
TPSA84.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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

4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
CID 87078724
3-N-[[4-(diethylamino)phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 4615809
3-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 6165007
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135891519
3-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454370

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide?
The IUPAC name of [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide (CID 135737239) is [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide is CCN(CC)c1ccc(/C=N\[N-]c2nn[nH]n2)cc1.
What is the InChIKey of [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide?
The InChIKey is LULHVPYKXQEZKH-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H-,14,15,16,17,18)/q-1/b13-9-.
What are the key properties of [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide?
[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide has a molecular weight of 258.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135737239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).