N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide

C10H19N5O — CID 13203399

IUPACN,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCc1nn[nH]n1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)10(16)8-6-5-7-9-11-13-14-12-9/h3-8H2,1-2H3,(H,11,12,13,14)
InChIKeySHHGCXHUCPYNMN-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.78
Rot. Bonds7

About N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide

N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide (PubChem CID 13203399) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide
PubChem CID13203399
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCc1nn[nH]n1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)10(16)8-6-5-7-9-11-13-14-12-9/h3-8H2,1-2H3,(H,11,12,13,14)
InChIKeySHHGCXHUCPYNMN-UHFFFAOYSA-N
XLogP0.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide?
The IUPAC name of N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide (CID 13203399) is N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide.
What is the SMILES notation for N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide?
The canonical SMILES for N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide is CCN(CC)C(=O)CCCCc1nn[nH]n1.
What is the InChIKey of N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide?
The InChIKey is SHHGCXHUCPYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-15(4-2)10(16)8-6-5-7-9-11-13-14-12-9/h3-8H2,1-2H3,(H,11,12,13,14).
What are the key properties of N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide?
N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide has a molecular weight of 225.30 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide is sourced from PubChem (CID 13203399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).