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

C8H16N4O — CID 115773269

IUPAC2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
SMILESCC(CO)N(C)Cc1ncnn1C
InChIInChI=1S/C8H16N4O/c1-7(5-13)11(2)4-8-9-6-10-12(8)3/h6-7,13H,4-5H2,1-3H3
InChIKeyYTXFFDNACMDOOA-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.37
Rot. Bonds4

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

2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 115773269) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
PubChem CID115773269
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
SMILESCC(CO)N(C)Cc1ncnn1C
InChIInChI=1S/C8H16N4O/c1-7(5-13)11(2)4-8-9-6-10-12(8)3/h6-7,13H,4-5H2,1-3H3
InChIKeyYTXFFDNACMDOOA-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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Related Compounds

(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
2-chloro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 138041016
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103880987
(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
CID 95907498
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
CID 111512497
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
CID 97329664
3-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-ol
CID 103705685
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
CID 115017760

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (CID 115773269) is 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is CC(CO)N(C)Cc1ncnn1C.
What is the InChIKey of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is YTXFFDNACMDOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(5-13)11(2)4-8-9-6-10-12(8)3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
2-[methyl-[(2-methyl-1,2,4-triazol-3-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-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115773269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).