2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one

C18H18N4O2 — CID 166319763

IUPAC2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
SMILESCn1cnc(=O)n1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-20-12-19-18(24)22(20)11-13(23)10-21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21/h2-9,12-13,23H,10-11H2,1H3
InChIKeyHILOMFCUHYXCKV-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one

2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one (PubChem CID 166319763) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
PubChem CID166319763
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
SMILESCn1cnc(=O)n1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-20-12-19-18(24)22(20)11-13(23)10-21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21/h2-9,12-13,23H,10-11H2,1H3
InChIKeyHILOMFCUHYXCKV-UHFFFAOYSA-N
XLogP1.75
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
(R)-1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)imid-azolidin-2-one
CID 118415358
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-methylmethanesulfonamide
CID 2947704
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
CID 2903990
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855
1-[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl]-4,6-dimethyl-2(1H)-pyrimidinone
CID 2854692
1-Carbazol-9-yl-3-(2-hydroxy-ethylamino)-propan-2-ol
CID 2859847
1-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 42947281
1-Carbazol-9-yl-3-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 89897829

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one (CID 166319763) is 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one is Cn1cnc(=O)n1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one?
The InChIKey is HILOMFCUHYXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-20-12-19-18(24)22(20)11-13(23)10-21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21/h2-9,12-13,23H,10-11H2,1H3.
What are the key properties of 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one?
2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one has a molecular weight of 322.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 166319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).