2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol

C8H16N4O — CID 103880987

IUPAC2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(CO)N(C)Cc1cn(C)nn1
InChIInChI=1S/C8H16N4O/c1-7(6-13)11(2)4-8-5-12(3)10-9-8/h5,7,13H,4,6H2,1-3H3
InChIKeyDVVVGGVLTLYTMM-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.37
Rot. Bonds4

About 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol

2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol (PubChem CID 103880987) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
PubChem CID103880987
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(CO)N(C)Cc1cn(C)nn1
InChIInChI=1S/C8H16N4O/c1-7(6-13)11(2)4-8-5-12(3)10-9-8/h5,7,13H,4,6H2,1-3H3
InChIKeyDVVVGGVLTLYTMM-UHFFFAOYSA-N
XLogP-0.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol (CID 103880987) is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol is CC(CO)N(C)Cc1cn(C)nn1.
What is the InChIKey of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The InChIKey is DVVVGGVLTLYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(6-13)11(2)4-8-5-12(3)10-9-8/h5,7,13H,4,6H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 103880987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).