N-(3-ethoxypropyl)-1-methyltetrazol-5-amine

C7H15N5O — CID 63152129

IUPACN-(3-ethoxypropyl)-1-methyltetrazol-5-amine
SMILESCCOCCCNc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-3-13-6-4-5-8-7-9-10-11-12(7)2/h3-6H2,1-2H3,(H,8,9,11)
InChIKeyPACVHTXJJGDYPB-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.05
Rot. Bonds6

About N-(3-ethoxypropyl)-1-methyltetrazol-5-amine

N-(3-ethoxypropyl)-1-methyltetrazol-5-amine (PubChem CID 63152129) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-methyltetrazol-5-amine
PubChem CID63152129
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC NameN-(3-ethoxypropyl)-1-methyltetrazol-5-amine
SMILESCCOCCCNc1nnnn1C
InChIInChI=1S/C7H15N5O/c1-3-13-6-4-5-8-7-9-10-11-12(7)2/h3-6H2,1-2H3,(H,8,9,11)
InChIKeyPACVHTXJJGDYPB-UHFFFAOYSA-N
XLogP0.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methyltetrazol-5-amine
CID 63152228
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546
N'-methyl-N-(1-methyltetrazol-5-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 63150397
N',N'-dimethyl-N-(1-methyltetrazol-5-yl)ethane-1,2-diamine
CID 63152406
N-[3-[3-[(hexylamino)methyl]phenoxy]propyl]-1-methyltetrazol-5-amine
CID 12797468
N-[2-(1-fluorocyclobutyl)ethyl]-1-methyltetrazol-5-amine
CID 130727764
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297
3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
CID 63719018
1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-methyltetrazol-5-amine (CID 63152129) is N-(3-ethoxypropyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-methyltetrazol-5-amine is CCOCCCNc1nnnn1C.
What is the InChIKey of N-(3-ethoxypropyl)-1-methyltetrazol-5-amine?
The InChIKey is PACVHTXJJGDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-3-13-6-4-5-8-7-9-10-11-12(7)2/h3-6H2,1-2H3,(H,8,9,11).
What are the key properties of N-(3-ethoxypropyl)-1-methyltetrazol-5-amine?
N-(3-ethoxypropyl)-1-methyltetrazol-5-amine has a molecular weight of 185.23 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 63152129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).