6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H14BrN5O2 — CID 110008367

IUPAC6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H14BrN5O2/c13-8-5-14-11-15-9(17-18(11)6-8)10(20)16-12(7-19)3-1-2-4-12/h5-6,19H,1-4,7H2,(H,16,20)
InChIKeyINKUIKHKUIYXKD-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.92
Rot. Bonds3

About 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 110008367) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID110008367
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H14BrN5O2/c13-8-5-14-11-15-9(17-18(11)6-8)10(20)16-12(7-19)3-1-2-4-12/h5-6,19H,1-4,7H2,(H,16,20)
InChIKeyINKUIKHKUIYXKD-UHFFFAOYSA-N
XLogP0.92
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.92
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-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 110008367) is 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1(CO)CCCC1)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is INKUIKHKUIYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c13-8-5-14-11-15-9(17-18(11)6-8)10(20)16-12(7-19)3-1-2-4-12/h5-6,19H,1-4,7H2,(H,16,20).
What are the key properties of 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(hydroxymethyl)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 110008367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).