4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol

C9H18N4O — CID 115666950

IUPAC4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1nncn1C
InChIInChI=1S/C9H18N4O/c1-8(14)4-5-12(2)6-9-11-10-7-13(9)3/h7-8,14H,4-6H2,1-3H3
InChIKeyUGHYTQZPMGLFFO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds5

About 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol

4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol (PubChem CID 115666950) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
PubChem CID115666950
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1nncn1C
InChIInChI=1S/C9H18N4O/c1-8(14)4-5-12(2)6-9-11-10-7-13(9)3/h7-8,14H,4-6H2,1-3H3
InChIKeyUGHYTQZPMGLFFO-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol (CID 115666950) is 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol is CC(O)CCN(C)Cc1nncn1C.
What is the InChIKey of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol?
The InChIKey is UGHYTQZPMGLFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(14)4-5-12(2)6-9-11-10-7-13(9)3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol?
4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 115666950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).