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

C13H20Cl2N6O — CID 120557804

IUPAC7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1ccnc2nc(C(=O)NC3CCNCC3C)nn12.Cl.Cl
InChIInChI=1S/C13H18N6O.2ClH/c1-8-7-14-5-4-10(8)16-12(20)11-17-13-15-6-3-9(2)19(13)18-11;;/h3,6,8,10,14H,4-5,7H2,1-2H3,(H,16,20);2*1H
InChIKeyDLNQQAPYVQFPCO-UHFFFAOYSA-N
MW347.25 g/mol
LogP1.00
Rot. Bonds2

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

7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (PubChem CID 120557804) has the molecular formula C13H20Cl2N6O and a molecular weight of 347.25 g/mol. Its IUPAC name is 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
PubChem CID120557804
Molecular FormulaC13H20Cl2N6O
Molecular Weight347.25 g/mol
Exact Mass346.11
IUPAC Name7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1ccnc2nc(C(=O)NC3CCNCC3C)nn12.Cl.Cl
InChIInChI=1S/C13H18N6O.2ClH/c1-8-7-14-5-4-10(8)16-12(20)11-17-13-15-6-3-9(2)19(13)18-11;;/h3,6,8,10,14H,4-5,7H2,1-2H3,(H,16,20);2*1H
InChIKeyDLNQQAPYVQFPCO-UHFFFAOYSA-N
XLogP1.00
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120554342
5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120554343
N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 104956921
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119612281
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95320603
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661928
1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120556336
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The IUPAC name of 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (CID 120557804) is 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is Cc1ccnc2nc(C(=O)NC3CCNCC3C)nn12.Cl.Cl.
What is the InChIKey of 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The InChIKey is DLNQQAPYVQFPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.2ClH/c1-8-7-14-5-4-10(8)16-12(20)11-17-13-15-6-3-9(2)19(13)18-11;;/h3,6,8,10,14H,4-5,7H2,1-2H3,(H,16,20);2*1H.
What are the key properties of 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride has a molecular weight of 347.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120557804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).