N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine

C10H13N5O — CID 60702902

IUPACN-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
SMILESCCONCc1nnnn1-c1ccccc1
InChIInChI=1S/C10H13N5O/c1-2-16-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyMSDLGUJMOSVRGV-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.70
Rot. Bonds5

About N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine

N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine (PubChem CID 60702902) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
PubChem CID60702902
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
SMILESCCONCc1nnnn1-c1ccccc1
InChIInChI=1S/C10H13N5O/c1-2-16-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyMSDLGUJMOSVRGV-UHFFFAOYSA-N
XLogP0.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 64974352
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
5-butyl-1-phenyltetrazole
CID 69031432
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The IUPAC name of N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine (CID 60702902) is N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The canonical SMILES for N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine is CCONCc1nnnn1-c1ccccc1.
What is the InChIKey of N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The InChIKey is MSDLGUJMOSVRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-16-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3.
What are the key properties of N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine is sourced from PubChem (CID 60702902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).