1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine

C11H14N6O — CID 21214124

IUPAC1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCCOc1ccccc1C=Nn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h3-6,8H,2,7H2,1H3,(H2,12,14,16)
InChIKeyXGRVSQXSHPVVEP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds5

About 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 21214124) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID21214124
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCCOc1ccccc1C=Nn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h3-6,8H,2,7H2,1H3,(H2,12,14,16)
InChIKeyXGRVSQXSHPVVEP-UHFFFAOYSA-N
XLogP0.93
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 6859930
2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5426901
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 1227621
1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6114126
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 5455168
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
CID 5340519
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine (CID 21214124) is 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine is CCCOc1ccccc1C=Nn1nnnc1N.
What is the InChIKey of 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is XGRVSQXSHPVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h3-6,8H,2,7H2,1H3,(H2,12,14,16).
What are the key properties of 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 21214124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).