N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine

C10H10N6 — CID 6894212

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
SMILESC(=C/c1ccccc1)\C=N\Nc1nn[nH]n1
InChIInChI=1S/C10H10N6/c1-2-5-9(6-3-1)7-4-8-11-12-10-13-15-16-14-10/h1-8H,(H2,12,13,14,15,16)/b7-4+,11-8+
InChIKeyQBWXSGSAMQGELO-VCABWLAWSA-N
MW214.23 g/mol
LogP1.31
Rot. Bonds4

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine (PubChem CID 6894212) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
PubChem CID6894212
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
SMILESC(=C/c1ccccc1)\C=N\Nc1nn[nH]n1
InChIInChI=1S/C10H10N6/c1-2-5-9(6-3-1)7-4-8-11-12-10-13-15-16-14-10/h1-8H,(H2,12,13,14,15,16)/b7-4+,11-8+
InChIKeyQBWXSGSAMQGELO-VCABWLAWSA-N
XLogP1.31
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193
N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
CID 26975194
3-N-(cinnamylideneamino)-1,2,4-triazole-3,4-diamine
CID 4289184
1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
CID 110839665
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
2-[[4-amino-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17074908
(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
CID 70156613
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
CID 7065258
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine (CID 6894212) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine is C(=C/c1ccccc1)\C=N\Nc1nn[nH]n1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine?
The InChIKey is QBWXSGSAMQGELO-VCABWLAWSA-N. The full InChI is InChI=1S/C10H10N6/c1-2-5-9(6-3-1)7-4-8-11-12-10-13-15-16-14-10/h1-8H,(H2,12,13,14,15,16)/b7-4+,11-8+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine has a molecular weight of 214.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine is sourced from PubChem (CID 6894212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).