1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

C11H14N6O — CID 2214872

IUPAC1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1ccc(CNn2nnnc2N)cc1
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-5-3-9(4-6-10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16)
InChIKeyGJTJNOMWALXPAN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.56
Rot. Bonds6

About 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 2214872) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID2214872
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1ccc(CNn2nnnc2N)cc1
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-5-3-9(4-6-10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16)
InChIKeyGJTJNOMWALXPAN-UHFFFAOYSA-N
XLogP0.56
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propoxybenzyl)-2H-tetrazole
CID 657685
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
(E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512226
(E)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512243
(Z)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369018
(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369037
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
2-{4-[(5-Amino-tetrazol-1-ylamino)-methyl]-phenoxy}-N-tert-butyl-acetamide
CID 654110
1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
4-(4-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
CID 2215726
N*1*-(2-Allyloxy-3-methoxy-benzyl)-tetrazole-1,5-diamine
CID 3155255
5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
CID 654997

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (CID 2214872) is 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is C=CCOc1ccc(CNn2nnnc2N)cc1.
What is the InChIKey of 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is GJTJNOMWALXPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-7-18-10-5-3-9(4-6-10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16).
What are the key properties of 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 2214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).