N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine

C11H13N5O — CID 655020

IUPACN-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESC=CCOc1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-7-17-10-5-3-9(4-6-10)8-12-11-13-15-16-14-11/h2-6H,1,7-8H2,(H2,12,13,14,15,16)
InChIKeyXWIPDQMVFBNIKE-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.38
Rot. Bonds6

About N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 655020) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID655020
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESC=CCOc1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-7-17-10-5-3-9(4-6-10)8-12-11-13-15-16-14-11/h2-6H,1,7-8H2,(H2,12,13,14,15,16)
InChIKeyXWIPDQMVFBNIKE-UHFFFAOYSA-N
XLogP1.38
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725806
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
1-N-[(4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
CID 2214872
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
(3,4-Dimethoxy-benzyl)-(1H-tetrazol-5-yl)-amine
CID 592205
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
N~1~-(4-ethoxybenzyl)-1H-tetraazole-1,5-diamine
CID 833772

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 655020) is N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine is C=CCOc1ccc(CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is XWIPDQMVFBNIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-7-17-10-5-3-9(4-6-10)8-12-11-13-15-16-14-11/h2-6H,1,7-8H2,(H2,12,13,14,15,16).
What are the key properties of N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 231.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 655020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).