2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol

C12H24N4O — CID 66039620

IUPAC2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H24N4O/c1-5-6-13-8-12(4,17)7-11-14-9-15-16(11)10(2)3/h9-10,13,17H,5-8H2,1-4H3
InChIKeyUBGCWYFUKHCVTB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds7

About 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol

2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol (PubChem CID 66039620) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
PubChem CID66039620
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H24N4O/c1-5-6-13-8-12(4,17)7-11-14-9-15-16(11)10(2)3/h9-10,13,17H,5-8H2,1-4H3
InChIKeyUBGCWYFUKHCVTB-UHFFFAOYSA-N
XLogP1.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 66040082
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66403720
2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83151190
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
2,3-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 83149402
5-[2,2-bis(chloromethyl)pentyl]-1-propan-2-yl-1,2,4-triazole
CID 79448052
N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781446
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
2-methyl-1-(methylamino)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66040076
2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 83150451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol (CID 66039620) is 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1ncnn1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol?
The InChIKey is UBGCWYFUKHCVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-6-13-8-12(4,17)7-11-14-9-15-16(11)10(2)3/h9-10,13,17H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol?
2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).