1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol

C11H23N5O — CID 106147440

IUPAC1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
SMILESCCn1ncnc1CNCC(C)(O)CN(C)C
InChIInChI=1S/C11H23N5O/c1-5-16-10(13-9-14-16)6-12-7-11(2,17)8-15(3)4/h9,12,17H,5-8H2,1-4H3
InChIKeyARZNPTQXUAGMKH-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.30
Rot. Bonds7

About 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol (PubChem CID 106147440) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
PubChem CID106147440
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
SMILESCCn1ncnc1CNCC(C)(O)CN(C)C
InChIInChI=1S/C11H23N5O/c1-5-16-10(13-9-14-16)6-12-7-11(2,17)8-15(3)4/h9,12,17H,5-8H2,1-4H3
InChIKeyARZNPTQXUAGMKH-UHFFFAOYSA-N
XLogP-0.30
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
CID 106147433
3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120785
1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151899
2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
CID 106247179
1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759552
N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 115761351
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173761
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103839012

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol (CID 106147440) is 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol is CCn1ncnc1CNCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol?
The InChIKey is ARZNPTQXUAGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-5-16-10(13-9-14-16)6-12-7-11(2,17)8-15(3)4/h9,12,17H,5-8H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol has a molecular weight of 241.34 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106147440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).