5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

C14H22Cl2N6O — CID 120554342

IUPAC5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1cc(C)n2nc(C(=O)NC3CCNCC3C)nc2n1.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-8-7-15-5-4-11(8)17-13(21)12-18-14-16-9(2)6-10(3)20(14)19-12;;/h6,8,11,15H,4-5,7H2,1-3H3,(H,17,21);2*1H
InChIKeyODGIUZXALTWYNV-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.31
Rot. Bonds2

About 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (PubChem CID 120554342) has the molecular formula C14H22Cl2N6O and a molecular weight of 361.28 g/mol. Its IUPAC name is 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
PubChem CID120554342
Molecular FormulaC14H22Cl2N6O
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC Name5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1cc(C)n2nc(C(=O)NC3CCNCC3C)nc2n1.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-8-7-15-5-4-11(8)17-13(21)12-18-14-16-9(2)6-10(3)20(14)19-12;;/h6,8,11,15H,4-5,7H2,1-3H3,(H,17,21);2*1H
InChIKeyODGIUZXALTWYNV-UHFFFAOYSA-N
XLogP1.31
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120554343
7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120557804
5,7-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120575694
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120557423
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120556336
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The IUPAC name of 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (CID 120554342) is 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is Cc1cc(C)n2nc(C(=O)NC3CCNCC3C)nc2n1.Cl.Cl.
What is the InChIKey of 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The InChIKey is ODGIUZXALTWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2ClH/c1-8-7-15-5-4-11(8)17-13(21)12-18-14-16-9(2)6-10(3)20(14)19-12;;/h6,8,11,15H,4-5,7H2,1-3H3,(H,17,21);2*1H.
What are the key properties of 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride has a molecular weight of 361.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).