N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride

C12H22ClN7 — CID 51105352

IUPACN,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNCCn1cncn1.Cl
InChIInChI=1S/C12H21N7.ClH/c1-10-11(12(17(2)3)18(4)16-10)7-13-5-6-19-9-14-8-15-19;/h8-9,13H,5-7H2,1-4H3;1H
InChIKeyBTTXTNWUJJXUEF-UHFFFAOYSA-N
MW299.81 g/mol
LogP0.60
Rot. Bonds6

About N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride

N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride (PubChem CID 51105352) has the molecular formula C12H22ClN7 and a molecular weight of 299.81 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride
PubChem CID51105352
Molecular FormulaC12H22ClN7
Molecular Weight299.81 g/mol
Exact Mass299.16
IUPAC NameN,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N(C)C)c1CNCCn1cncn1.Cl
InChIInChI=1S/C12H21N7.ClH/c1-10-11(12(17(2)3)18(4)16-10)7-13-5-6-19-9-14-8-15-19;/h8-9,13H,5-7H2,1-4H3;1H
InChIKeyBTTXTNWUJJXUEF-UHFFFAOYSA-N
XLogP0.60
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,1,3-tetramethyl-4-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)methyl]pyrazol-5-amine
CID 53543161
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
CID 72841747
N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 51105032
N,N,1,3-tetramethyl-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrazol-5-amine
CID 51105179
N,N,1,3-tetramethyl-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]pyrazol-5-amine
CID 53540191
N,N,1,3-tetramethyl-4-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)methyl]pyrazol-5-amine;hydrochloride
CID 53543160
4-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 53553077
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2,5,6-trimethylpyrimidin-4-amine
CID 97148960
4-cyclopropyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 132388363
N-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 99801920
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine;hydroiodide
CID 112423190
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 112423191

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride (CID 51105352) is N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride is Cc1nn(C)c(N(C)C)c1CNCCn1cncn1.Cl.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride?
The InChIKey is BTTXTNWUJJXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7.ClH/c1-10-11(12(17(2)3)18(4)16-10)7-13-5-6-19-9-14-8-15-19;/h8-9,13H,5-7H2,1-4H3;1H.
What are the key properties of N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride?
N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 51105352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).