3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol

C15H23N5O — CID 115376820

IUPAC3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(NCc2cn(CCCO)nn2)cc1N(C)C
InChIInChI=1S/C15H23N5O/c1-12-5-6-13(9-15(12)19(2)3)16-10-14-11-20(18-17-14)7-4-8-21/h5-6,9,11,16,21H,4,7-8,10H2,1-3H3
InChIKeyHYGWEWSXVFIWSU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds7

About 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 115376820) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
PubChem CID115376820
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(NCc2cn(CCCO)nn2)cc1N(C)C
InChIInChI=1S/C15H23N5O/c1-12-5-6-13(9-15(12)19(2)3)16-10-14-11-20(18-17-14)7-4-8-21/h5-6,9,11,16,21H,4,7-8,10H2,1-3H3
InChIKeyHYGWEWSXVFIWSU-UHFFFAOYSA-N
XLogP1.65
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
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2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
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3-[4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66269114
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CID 82865842
3-[4-[(3-chloro-4-nitroanilino)methyl]triazol-1-yl]propan-1-ol
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2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
CID 66270190
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[[4-(difluoromethylsulfanyl)anilino]methyl]triazol-1-yl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol (CID 115376820) is 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol is Cc1ccc(NCc2cn(CCCO)nn2)cc1N(C)C.
What is the InChIKey of 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is HYGWEWSXVFIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-5-6-13(9-15(12)19(2)3)16-10-14-11-20(18-17-14)7-4-8-21/h5-6,9,11,16,21H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 115376820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).