6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C11H14BrN5O2 — CID 109478736

IUPAC6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C11H14BrN5O2/c1-2-8(3-4-18)14-10(19)9-15-11-13-5-7(12)6-17(11)16-9/h5-6,8,18H,2-4H2,1H3,(H,14,19)
InChIKeyYEYJDSWNGMXWLM-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.78
Rot. Bonds5

About 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 109478736) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID109478736
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C11H14BrN5O2/c1-2-8(3-4-18)14-10(19)9-15-11-13-5-7(12)6-17(11)16-9/h5-6,8,18H,2-4H2,1H3,(H,14,19)
InChIKeyYEYJDSWNGMXWLM-UHFFFAOYSA-N
XLogP0.78
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 109478736) is 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(CCO)NC(=O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YEYJDSWNGMXWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-2-8(3-4-18)14-10(19)9-15-11-13-5-7(12)6-17(11)16-9/h5-6,8,18H,2-4H2,1H3,(H,14,19).
What are the key properties of 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-hydroxypentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 109478736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).