N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide

C9H17N5O — CID 110871072

IUPACN,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide
SMILESCN(Cc1nnnn1C)C(=O)C(C)(C)C
InChIInChI=1S/C9H17N5O/c1-9(2,3)8(15)13(4)6-7-10-11-12-14(7)5/h6H2,1-5H3
InChIKeyDCOGBHAPFJKEHR-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.21
Rot. Bonds2

About N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide

N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide (PubChem CID 110871072) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide
PubChem CID110871072
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide
SMILESCN(Cc1nnnn1C)C(=O)C(C)(C)C
InChIInChI=1S/C9H17N5O/c1-9(2,3)8(15)13(4)6-7-10-11-12-14(7)5/h6H2,1-5H3
InChIKeyDCOGBHAPFJKEHR-UHFFFAOYSA-N
XLogP0.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide (CID 110871072) is N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide is CN(Cc1nnnn1C)C(=O)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide?
The InChIKey is DCOGBHAPFJKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,3)8(15)13(4)6-7-10-11-12-14(7)5/h6H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide?
N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide has a molecular weight of 211.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110871072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).