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

C6H13N5O — CID 63152228

IUPACN-(3-methoxypropyl)-1-methyltetrazol-5-amine
SMILESCOCCCNc1nnnn1C
InChIInChI=1S/C6H13N5O/c1-11-6(8-9-10-11)7-4-3-5-12-2/h3-5H2,1-2H3,(H,7,8,10)
InChIKeyGKQOBFKETGAMFD-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.34
Rot. Bonds5

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

N-(3-methoxypropyl)-1-methyltetrazol-5-amine (PubChem CID 63152228) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyltetrazol-5-amine
PubChem CID63152228
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC NameN-(3-methoxypropyl)-1-methyltetrazol-5-amine
SMILESCOCCCNc1nnnn1C
InChIInChI=1S/C6H13N5O/c1-11-6(8-9-10-11)7-4-3-5-12-2/h3-5H2,1-2H3,(H,7,8,10)
InChIKeyGKQOBFKETGAMFD-UHFFFAOYSA-N
XLogP-0.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.34
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-ethoxypropyl)-1-methyltetrazol-5-amine
CID 63152129
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546
2-[(1-methyltetrazol-5-yl)amino]ethanol
CID 63152176
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-[2-(1-fluorocyclobutyl)ethyl]-1-methyltetrazol-5-amine
CID 130727764
N-[3-[3-[(hexylamino)methyl]phenoxy]propyl]-1-methyltetrazol-5-amine
CID 12797468
N-(2-imidazol-1-ylethyl)-1-methyltetrazol-5-amine
CID 63150127
1-methyl-N-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-amine
CID 102913752
4-methoxy-3-[(1-methyltetrazol-5-yl)amino]butan-1-ol
CID 106157656
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyltetrazol-5-amine (CID 63152228) is N-(3-methoxypropyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyltetrazol-5-amine is COCCCNc1nnnn1C.
What is the InChIKey of N-(3-methoxypropyl)-1-methyltetrazol-5-amine?
The InChIKey is GKQOBFKETGAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-11-6(8-9-10-11)7-4-3-5-12-2/h3-5H2,1-2H3,(H,7,8,10).
What are the key properties of N-(3-methoxypropyl)-1-methyltetrazol-5-amine?
N-(3-methoxypropyl)-1-methyltetrazol-5-amine has a molecular weight of 171.20 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 63152228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).