2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

C12H23N5O — CID 110496908

IUPAC2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCn1nnnc1CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H23N5O/c1-11(2,3)8-12(4,5)13-10(18)7-9-14-15-16-17(9)6/h7-8H2,1-6H3,(H,13,18)
InChIKeyNBANPNMRDZYAQK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.08
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 110496908) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID110496908
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCn1nnnc1CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H23N5O/c1-11(2,3)8-12(4,5)13-10(18)7-9-14-15-16-17(9)6/h7-8H2,1-6H3,(H,13,18)
InChIKeyNBANPNMRDZYAQK-UHFFFAOYSA-N
XLogP1.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 110496908) is 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is Cn1nnnc1CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is NBANPNMRDZYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-11(2,3)8-12(4,5)13-10(18)7-9-14-15-16-17(9)6/h7-8H2,1-6H3,(H,13,18).
What are the key properties of 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 110496908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).