N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

C15H24Cl2N6O — CID 154577712

IUPACN-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1cnc2nc(C(=O)NC(CN)C3CCCCC3)nn2c1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-10-8-17-15-19-13(20-21(15)9-10)14(22)18-12(7-16)11-5-3-2-4-6-11;;/h8-9,11-12H,2-7,16H2,1H3,(H,18,22);2*1H
InChIKeyKWRHMZOHNDLVHT-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.91
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (PubChem CID 154577712) has the molecular formula C15H24Cl2N6O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
PubChem CID154577712
Molecular FormulaC15H24Cl2N6O
Molecular Weight375.30 g/mol
Exact Mass374.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCc1cnc2nc(C(=O)NC(CN)C3CCCCC3)nn2c1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-10-8-17-15-19-13(20-21(15)9-10)14(22)18-12(7-16)11-5-3-2-4-6-11;;/h8-9,11-12H,2-7,16H2,1H3,(H,18,22);2*1H
InChIKeyKWRHMZOHNDLVHT-UHFFFAOYSA-N
XLogP1.91
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (CID 154577712) is N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is Cc1cnc2nc(C(=O)NC(CN)C3CCCCC3)nn2c1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The InChIKey is KWRHMZOHNDLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.2ClH/c1-10-8-17-15-19-13(20-21(15)9-10)14(22)18-12(7-16)11-5-3-2-4-6-11;;/h8-9,11-12H,2-7,16H2,1H3,(H,18,22);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154577712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).