6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

C11H14BrClN6O — CID 119387968

IUPAC6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C11H13BrN6O.ClH/c12-7-5-14-11-16-9(17-18(11)6-7)10(19)15-8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2,(H,15,19);1H
InChIKeyZSDPDZSSRINHQT-UHFFFAOYSA-N
MW361.63 g/mol
LogP0.79
Rot. Bonds2

About 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 119387968) has the molecular formula C11H14BrClN6O and a molecular weight of 361.63 g/mol. Its IUPAC name is 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
PubChem CID119387968
Molecular FormulaC11H14BrClN6O
Molecular Weight361.63 g/mol
Exact Mass360.01
IUPAC Name6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C11H13BrN6O.ClH/c12-7-5-14-11-16-9(17-18(11)6-7)10(19)15-8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2,(H,15,19);1H
InChIKeyZSDPDZSSRINHQT-UHFFFAOYSA-N
XLogP0.79
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119457224
6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 111471419
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561099
6-bromo-N-[(3S)-3-methyloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 164638263
5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
CID 112531060
6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 166354998
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 67204816
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348775
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-piperidin-4-yl-4-pyridin-2-ylpyrimidine-2-carboxamide
CID 175910365
2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213571

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (CID 119387968) is 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is ZSDPDZSSRINHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O.ClH/c12-7-5-14-11-16-9(17-18(11)6-7)10(19)15-8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2,(H,15,19);1H.
What are the key properties of 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 361.63 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119387968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).