N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine

C12H15N5O2 — CID 2219224

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESC=CCOc1ccc(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C12H15N5O2/c1-3-6-19-10-5-4-9(7-11(10)18-2)8-13-12-14-16-17-15-12/h3-5,7H,1,6,8H2,2H3,(H2,13,14,15,16,17)
InChIKeySFULIGHYOIDXRO-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.39
Rot. Bonds7

About N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 2219224) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID2219224
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESC=CCOc1ccc(CNc2nn[nH]n2)cc1OC
InChIInChI=1S/C12H15N5O2/c1-3-6-19-10-5-4-9(7-11(10)18-2)8-13-12-14-16-17-15-12/h3-5,7H,1,6,8H2,2H3,(H2,13,14,15,16,17)
InChIKeySFULIGHYOIDXRO-UHFFFAOYSA-N
XLogP1.39
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 4725810
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-(2-ethoxy-3-methoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834552
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725752
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
N-(2,3-dimethoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 4725750
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 666461
1-butyl-N-(3,4-dimethoxybenzyl)-1H-tetrazol-5-amine
CID 1817983
N,N'-bis(3,4-dimethoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
CID 2236501
N*1*-(2-Allyloxy-3-methoxy-benzyl)-tetrazole-1,5-diamine
CID 3155255

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 2219224) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine is C=CCOc1ccc(CNc2nn[nH]n2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is SFULIGHYOIDXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-6-19-10-5-4-9(7-11(10)18-2)8-13-12-14-16-17-15-12/h3-5,7H,1,6,8H2,2H3,(H2,13,14,15,16,17).
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 261.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 2219224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).