N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

C14H22Cl2N6O — CID 119612281

IUPACN-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1ccnc2nc(C(=O)NC3CCCCC3CN)nn12.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-9-6-7-16-14-18-12(19-20(9)14)13(21)17-11-5-3-2-4-10(11)8-15;;/h6-7,10-11H,2-5,8,15H2,1H3,(H,17,21);2*1H
InChIKeyCHRKEHLUEJIJGQ-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.52
Rot. Bonds3

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

N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (PubChem CID 119612281) has the molecular formula C14H22Cl2N6O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
PubChem CID119612281
Molecular FormulaC14H22Cl2N6O
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1ccnc2nc(C(=O)NC3CCCCC3CN)nn12.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-9-6-7-16-14-18-12(19-20(9)14)13(21)17-11-5-3-2-4-10(11)8-15;;/h6-7,10-11H,2-5,8,15H2,1H3,(H,17,21);2*1H
InChIKeyCHRKEHLUEJIJGQ-UHFFFAOYSA-N
XLogP1.52
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120557804
N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119602769
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661928
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95320603
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (CID 119612281) is N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is Cc1ccnc2nc(C(=O)NC3CCCCC3CN)nn12.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The InChIKey is CHRKEHLUEJIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2ClH/c1-9-6-7-16-14-18-12(19-20(9)14)13(21)17-11-5-3-2-4-10(11)8-15;;/h6-7,10-11H,2-5,8,15H2,1H3,(H,17,21);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride has a molecular weight of 361.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119612281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).