2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide

C12H13BrN6O — CID 154764772

IUPAC2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2cncc(Br)c2)n1)NCC1CC1
InChIInChI=1S/C12H13BrN6O/c13-10-3-9(5-14-6-10)12-16-18-19(17-12)7-11(20)15-4-8-1-2-8/h3,5-6,8H,1-2,4,7H2,(H,15,20)
InChIKeyIJBPBGXBJCOOIK-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.02
Rot. Bonds5

About 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide

2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 154764772) has the molecular formula C12H13BrN6O and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID154764772
Molecular FormulaC12H13BrN6O
Molecular Weight337.18 g/mol
Exact Mass336.03
IUPAC Name2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2cncc(Br)c2)n1)NCC1CC1
InChIInChI=1S/C12H13BrN6O/c13-10-3-9(5-14-6-10)12-16-18-19(17-12)7-11(20)15-4-8-1-2-8/h3,5-6,8H,1-2,4,7H2,(H,15,20)
InChIKeyIJBPBGXBJCOOIK-UHFFFAOYSA-N
XLogP1.02
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide (CID 154764772) is 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide is O=C(Cn1nnc(-c2cncc(Br)c2)n1)NCC1CC1.
What is the InChIKey of 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is IJBPBGXBJCOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6O/c13-10-3-9(5-14-6-10)12-16-18-19(17-12)7-11(20)15-4-8-1-2-8/h3,5-6,8H,1-2,4,7H2,(H,15,20).
What are the key properties of 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide?
2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 337.18 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 154764772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).