N-butyl-2-(1-methyltetrazol-5-yl)acetamide

C8H15N5O — CID 110496861

IUPACN-butyl-2-(1-methyltetrazol-5-yl)acetamide
SMILESCCCCNC(=O)Cc1nnnn1C
InChIInChI=1S/C8H15N5O/c1-3-4-5-9-8(14)6-7-10-11-12-13(7)2/h3-6H2,1-2H3,(H,9,14)
InChIKeyHOXYGEMYNKDMPE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.33
Rot. Bonds5

About N-butyl-2-(1-methyltetrazol-5-yl)acetamide

N-butyl-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110496861) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-butyl-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110496861
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-butyl-2-(1-methyltetrazol-5-yl)acetamide
SMILESCCCCNC(=O)Cc1nnnn1C
InChIInChI=1S/C8H15N5O/c1-3-4-5-9-8(14)6-7-10-11-12-13(7)2/h3-6H2,1-2H3,(H,9,14)
InChIKeyHOXYGEMYNKDMPE-UHFFFAOYSA-N
XLogP-0.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
CID 110871029
2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496908
N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-butyl-3-(1-ethyltetrazol-5-yl)-2-methylsulfanylpropanamide
CID 70430296
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500574
3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097881
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500481
N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
CID 117097862
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-butyl-2-(1-methyltetrazol-5-yl)acetamide (CID 110496861) is N-butyl-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(1-methyltetrazol-5-yl)acetamide is CCCCNC(=O)Cc1nnnn1C.
What is the InChIKey of N-butyl-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is HOXYGEMYNKDMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4-5-9-8(14)6-7-10-11-12-13(7)2/h3-6H2,1-2H3,(H,9,14).
What are the key properties of N-butyl-2-(1-methyltetrazol-5-yl)acetamide?
N-butyl-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110496861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).