N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine

C12H15N5O — CID 4726685

IUPACN-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14,16)
InChIKeyQNMCDRSOGCFQAJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.48
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine

N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726685) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID4726685
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14,16)
InChIKeyQNMCDRSOGCFQAJ-UHFFFAOYSA-N
XLogP1.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726800
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 44615786
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542535
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66540004
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
2-[5-[(4-propan-2-ylphenyl)methylamino]tetrazol-1-yl]ethanol
CID 39860848
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4726994
3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
CID 114222411

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine (CID 4726685) is N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is QNMCDRSOGCFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).