N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide

C12H23N5O — CID 21295333

IUPACN,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCc1nnnn1CC
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)12(18)10-8-7-9-11-13-14-15-17(11)6-3/h4-10H2,1-3H3
InChIKeyPGRJWZMDJUKFTA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.27
Rot. Bonds8

About N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide

N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide (PubChem CID 21295333) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide
PubChem CID21295333
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCc1nnnn1CC
InChIInChI=1S/C12H23N5O/c1-4-16(5-2)12(18)10-8-7-9-11-13-14-15-17(11)6-3/h4-10H2,1-3H3
InChIKeyPGRJWZMDJUKFTA-UHFFFAOYSA-N
XLogP1.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-ethyltetrazol-5-yl)pentanamide?
The IUPAC name of N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide (CID 21295333) is N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide?
The canonical SMILES for N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide is CCN(CC)C(=O)CCCCc1nnnn1CC.
What is the InChIKey of N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide?
The InChIKey is PGRJWZMDJUKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-16(5-2)12(18)10-8-7-9-11-13-14-15-17(11)6-3/h4-10H2,1-3H3.
What are the key properties of N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide?
N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide has a molecular weight of 253.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 21295333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).