2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol

C17H24N4O — CID 109397382

IUPAC2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol
SMILESCc1nnc(CN(Cc2ccccc2)C(CO)C2CC2)n1C
InChIInChI=1S/C17H24N4O/c1-13-18-19-17(20(13)2)11-21(16(12-22)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3
InChIKeyHBJCTCWIWHASOE-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.90
Rot. Bonds7

About 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol

2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol (PubChem CID 109397382) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol.

Molecular Properties

Compound Name2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol
PubChem CID109397382
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol
SMILESCc1nnc(CN(Cc2ccccc2)C(CO)C2CC2)n1C
InChIInChI=1S/C17H24N4O/c1-13-18-19-17(20(13)2)11-21(16(12-22)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3
InChIKeyHBJCTCWIWHASOE-UHFFFAOYSA-N
XLogP1.90
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol
CID 109397393
2-[benzyl-[(2-chloro-3-pyridinyl)methyl]amino]-2-cyclopropylethanol
CID 109397389
2-[benzyl-[(E)-3-chloroprop-2-enyl]amino]-2-cyclopropylethanol
CID 109397397
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
(2S)-2-(dibenzylamino)-2-[(2R)-oxiran-2-yl]ethanol
CID 10968020
1-benzyl-3-cyclopropyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylguanidine;hydroiodide
CID 119115546
(2R)-2-[(2S)-1-benzylaziridin-2-yl]-2-(dibenzylamino)ethanol
CID 11394671
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 115715335
N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
CID 140734065
N-benzyl-4-cyano-N-(1-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 71908255
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 75501649

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol?
The IUPAC name of 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol (CID 109397382) is 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol.
What is the SMILES notation for 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol?
The canonical SMILES for 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol is Cc1nnc(CN(Cc2ccccc2)C(CO)C2CC2)n1C.
What is the InChIKey of 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol?
The InChIKey is HBJCTCWIWHASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-18-19-17(20(13)2)11-21(16(12-22)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15-16,22H,8-12H2,1-2H3.
What are the key properties of 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol?
2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol has a molecular weight of 300.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]-2-cyclopropylethanol is sourced from PubChem (CID 109397382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).