1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine

C7H10N8 — CID 6891021

IUPAC1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESCc1nn(C)cc1/C=N/n1nnnc1N
InChIInChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)/b9-3+
InChIKeyGARPYAXHSOTQLG-YCRREMRBSA-N
MW206.21 g/mol
LogP-0.82
Rot. Bonds2

About 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine

1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine (PubChem CID 6891021) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
PubChem CID6891021
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine
SMILESCc1nn(C)cc1/C=N/n1nnnc1N
InChIInChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)/b9-3+
InChIKeyGARPYAXHSOTQLG-YCRREMRBSA-N
XLogP-0.82
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 6866442
4-Chloro-1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176038
4-Chloro-1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176059
4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616393
4-chloro-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616631
(1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 1257622
N,N,1,3-tetramethyl-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrazol-5-amine
CID 51105179
N,N,1,3-tetramethyl-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]pyrazol-5-amine
CID 53540191
1-[[1-(2,2-Difluoroethyl)-3-methylpyrazol-4-yl]methyl]-1,2,4-triazole-3,5-diamine
CID 121320272
3,6-bis(3,4-dimethyl-1H-pyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetraazine
CID 75406485
[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]({[1-(2-fluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 122166610
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166640

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine (CID 6891021) is 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine is Cc1nn(C)cc1/C=N/n1nnnc1N.
What is the InChIKey of 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
The InChIKey is GARPYAXHSOTQLG-YCRREMRBSA-N. The full InChI is InChI=1S/C7H10N8/c1-5-6(4-14(2)11-5)3-9-15-7(8)10-12-13-15/h3-4H,1-2H3,(H2,8,10,13)/b9-3+.
What are the key properties of 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine?
1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine has a molecular weight of 206.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6891021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).