4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol

C12H22N4O — CID 111488526

IUPAC4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCc1nnc(CN(C)CCC(C)O)n1C1CC1
InChIInChI=1S/C12H22N4O/c1-9(17)6-7-15(3)8-12-14-13-10(2)16(12)11-4-5-11/h9,11,17H,4-8H2,1-3H3
InChIKeyLYDYZYGDCHXTCL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.12
Rot. Bonds6

About 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol (PubChem CID 111488526) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol
PubChem CID111488526
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCc1nnc(CN(C)CCC(C)O)n1C1CC1
InChIInChI=1S/C12H22N4O/c1-9(17)6-7-15(3)8-12-14-13-10(2)16(12)11-4-5-11/h9,11,17H,4-8H2,1-3H3
InChIKeyLYDYZYGDCHXTCL-UHFFFAOYSA-N
XLogP1.12
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol (CID 111488526) is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol is Cc1nnc(CN(C)CCC(C)O)n1C1CC1.
What is the InChIKey of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol?
The InChIKey is LYDYZYGDCHXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(17)6-7-15(3)8-12-14-13-10(2)16(12)11-4-5-11/h9,11,17H,4-8H2,1-3H3.
What are the key properties of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol?
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 111488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).