2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol

C10H20N4O — CID 81419956

IUPAC2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCc1ncn[nH]1
InChIInChI=1S/C10H20N4O/c1-3-10(2,7-15)6-11-5-4-9-12-8-13-14-9/h8,11,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGHOGTSNOBOGWPQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.35
Rot. Bonds7

About 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol

2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol (PubChem CID 81419956) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
PubChem CID81419956
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCc1ncn[nH]1
InChIInChI=1S/C10H20N4O/c1-3-10(2,7-15)6-11-5-4-9-12-8-13-14-9/h8,11,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGHOGTSNOBOGWPQ-UHFFFAOYSA-N
XLogP0.35
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
CID 81419957
2-ethyl-2-[[3-(1H-1,2,4-triazol-5-yl)propylamino]methyl]butan-1-ol
CID 81419852
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine;dihydrochloride
CID 154878724
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
CID 64547937
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725332
2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 115683967
2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-2-methylbutan-1-ol
CID 81419046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol (CID 81419956) is 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol is CCC(C)(CO)CNCCc1ncn[nH]1.
What is the InChIKey of 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is GHOGTSNOBOGWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-10(2,7-15)6-11-5-4-9-12-8-13-14-9/h8,11,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol?
2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).