(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol

C7H11N3O — CID 147030304

IUPAC(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol
SMILESCc1nnc2n1C(CO)CC2
InChIInChI=1S/C7H11N3O/c1-5-8-9-7-3-2-6(4-11)10(5)7/h6,11H,2-4H2,1H3
InChIKeyAXLUCWKLVKXURT-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.07
Rot. Bonds1

About (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol

(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol (PubChem CID 147030304) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol
PubChem CID147030304
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol
SMILESCc1nnc2n1C(CO)CC2
InChIInChI=1S/C7H11N3O/c1-5-8-9-7-3-2-6(4-11)10(5)7/h6,11H,2-4H2,1H3
InChIKeyAXLUCWKLVKXURT-UHFFFAOYSA-N
XLogP0.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol?
The IUPAC name of (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol (CID 147030304) is (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol?
The canonical SMILES for (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol is Cc1nnc2n1C(CO)CC2.
What is the InChIKey of (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol?
The InChIKey is AXLUCWKLVKXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-9-7-3-2-6(4-11)10(5)7/h6,11H,2-4H2,1H3.
What are the key properties of (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol?
(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol has a molecular weight of 153.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)methanol is sourced from PubChem (CID 147030304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).