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

C12H14BrN5O2 — CID 111471419

IUPAC6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H14BrN5O2/c13-8-5-15-12-16-10(17-18(12)6-8)11(20)14-4-7-2-1-3-9(7)19/h5-7,9,19H,1-4H2,(H,14,20)
InChIKeyBCLXNCPQHAAGCD-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.78
Rot. Bonds3

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

6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 111471419) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID111471419
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H14BrN5O2/c13-8-5-15-12-16-10(17-18(12)6-8)11(20)14-4-7-2-1-3-9(7)19/h5-7,9,19H,1-4H2,(H,14,20)
InChIKeyBCLXNCPQHAAGCD-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119602769
6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 119387968
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561099
N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 111471069
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
6-bromo-N-[(3S)-3-methyloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 164638263
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418
4-bromo-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167928022
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027707
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 111471419) is 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCC1O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BCLXNCPQHAAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c13-8-5-15-12-16-10(17-18(12)6-8)11(20)14-4-7-2-1-3-9(7)19/h5-7,9,19H,1-4H2,(H,14,20).
What are the key properties of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 111471419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).