2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide

C8H13N5O2 — CID 139019257

IUPAC2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide
SMILESCOC(C(=O)Nc1nnnn1C)C1CC1
InChIInChI=1S/C8H13N5O2/c1-13-8(10-11-12-13)9-7(14)6(15-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,12,14)
InChIKeyBECZSBALJBFISQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.43
Rot. Bonds4

About 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide

2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide (PubChem CID 139019257) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide
PubChem CID139019257
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide
SMILESCOC(C(=O)Nc1nnnn1C)C1CC1
InChIInChI=1S/C8H13N5O2/c1-13-8(10-11-12-13)9-7(14)6(15-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,12,14)
InChIKeyBECZSBALJBFISQ-UHFFFAOYSA-N
XLogP-0.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide (CID 139019257) is 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide is COC(C(=O)Nc1nnnn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is BECZSBALJBFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-8(10-11-12-13)9-7(14)6(15-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,12,14).
What are the key properties of 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide?
2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 139019257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).