[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol

C10H14N4O — CID 66400355

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESCc1nnc(Cn2cccc2CO)n1C
InChIInChI=1S/C10H14N4O/c1-8-11-12-10(13(8)2)6-14-5-3-4-9(14)7-15/h3-5,15H,6-7H2,1-2H3
InChIKeyHACAHZQKCHXTTD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.47
Rot. Bonds3

About [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol (PubChem CID 66400355) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol
PubChem CID66400355
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESCc1nnc(Cn2cccc2CO)n1C
InChIInChI=1S/C10H14N4O/c1-8-11-12-10(13(8)2)6-14-5-3-4-9(14)7-15/h3-5,15H,6-7H2,1-2H3
InChIKeyHACAHZQKCHXTTD-UHFFFAOYSA-N
XLogP0.47
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol (CID 66400355) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol is Cc1nnc(Cn2cccc2CO)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol?
The InChIKey is HACAHZQKCHXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8-11-12-10(13(8)2)6-14-5-3-4-9(14)7-15/h3-5,15H,6-7H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol has a molecular weight of 206.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 66400355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).