N-(1-butyltetrazol-5-yl)formamide

C6H11N5O — CID 142323369

IUPACN-(1-butyltetrazol-5-yl)formamide
SMILESCCCCn1nnnc1NC=O
InChIInChI=1S/C6H11N5O/c1-2-3-4-11-6(7-5-12)8-9-10-11/h5H,2-4H2,1H3,(H,7,8,10,12)
InChIKeyGNDNRHMZMSIZOP-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.04
Rot. Bonds5

About N-(1-butyltetrazol-5-yl)formamide

N-(1-butyltetrazol-5-yl)formamide (PubChem CID 142323369) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-(1-butyltetrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(1-butyltetrazol-5-yl)formamide
PubChem CID142323369
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-(1-butyltetrazol-5-yl)formamide
SMILESCCCCn1nnnc1NC=O
InChIInChI=1S/C6H11N5O/c1-2-3-4-11-6(7-5-12)8-9-10-11/h5H,2-4H2,1H3,(H,7,8,10,12)
InChIKeyGNDNRHMZMSIZOP-UHFFFAOYSA-N
XLogP0.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-5-propyltetrazole
CID 69032145
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
5-methyl-1-pentyltetrazole
CID 67274114
5-methyl-1-octyltetrazole
CID 20685309
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
1-butyl-N-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 4725630
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43417030
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
3-(1-butyltetrazol-5-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 31126040
1-pentyl-5-propan-2-yltetrazole
CID 69031680
1-butyl-4,5-difluorotriazole
CID 69383142

Frequently Asked Questions

What is the IUPAC name of N-(1-butyltetrazol-5-yl)formamide?
The IUPAC name of N-(1-butyltetrazol-5-yl)formamide (CID 142323369) is N-(1-butyltetrazol-5-yl)formamide.
What is the SMILES notation for N-(1-butyltetrazol-5-yl)formamide?
The canonical SMILES for N-(1-butyltetrazol-5-yl)formamide is CCCCn1nnnc1NC=O.
What is the InChIKey of N-(1-butyltetrazol-5-yl)formamide?
The InChIKey is GNDNRHMZMSIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-3-4-11-6(7-5-12)8-9-10-11/h5H,2-4H2,1H3,(H,7,8,10,12).
What are the key properties of N-(1-butyltetrazol-5-yl)formamide?
N-(1-butyltetrazol-5-yl)formamide has a molecular weight of 169.19 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyltetrazol-5-yl)formamide is sourced from PubChem (CID 142323369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).