2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide

C9H17N5O — CID 126627369

IUPAC2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide
SMILESCC(C)(CC(C)(C)c1nn[nH]n1)C(N)=O
InChIInChI=1S/C9H17N5O/c1-8(2,6(10)15)5-9(3,4)7-11-13-14-12-7/h5H2,1-4H3,(H2,10,15)(H,11,12,13,14)
InChIKeyMNZRSHCQIJVBCF-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.38
Rot. Bonds4

About 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide

2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide (PubChem CID 126627369) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide
PubChem CID126627369
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide
SMILESCC(C)(CC(C)(C)c1nn[nH]n1)C(N)=O
InChIInChI=1S/C9H17N5O/c1-8(2,6(10)15)5-9(3,4)7-11-13-14-12-7/h5H2,1-4H3,(H2,10,15)(H,11,12,13,14)
InChIKeyMNZRSHCQIJVBCF-UHFFFAOYSA-N
XLogP0.38
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentan-3-one
CID 58961047
3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide
CID 69406056
3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanamide
CID 91270663
3,3,5-trimethyl-5-(2H-tetrazol-5-yl)hexan-2-one
CID 130250458
2-methyl-5-(2H-tetrazol-5-yl)hexanamide
CID 138499843
ethane;4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632829
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 148785658
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanal
CID 155444822
4,4-dimethylpentan-2-one;5-(2,2-dimethylpropyl)-2H-tetrazole
CID 158716177

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide?
The IUPAC name of 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide (CID 126627369) is 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide?
The canonical SMILES for 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide is CC(C)(CC(C)(C)c1nn[nH]n1)C(N)=O.
What is the InChIKey of 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide?
The InChIKey is MNZRSHCQIJVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-8(2,6(10)15)5-9(3,4)7-11-13-14-12-7/h5H2,1-4H3,(H2,10,15)(H,11,12,13,14).
What are the key properties of 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide?
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide has a molecular weight of 211.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanamide is sourced from PubChem (CID 126627369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).