1,2,5-trimethylpyrrole-3-carboximidamide

C8H13N3 — CID 82490393

IUPAC1,2,5-trimethylpyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)n(C)c1C
InChIInChI=1S/C8H13N3/c1-5-4-7(8(9)10)6(2)11(5)3/h4H,1-3H3,(H3,9,10)
InChIKeyOCIDPIJCJDJHLK-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.93
Rot. Bonds1

About 1,2,5-trimethylpyrrole-3-carboximidamide

1,2,5-trimethylpyrrole-3-carboximidamide (PubChem CID 82490393) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,5-trimethylpyrrole-3-carboximidamide.

Molecular Properties

Compound Name1,2,5-trimethylpyrrole-3-carboximidamide
PubChem CID82490393
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,2,5-trimethylpyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)n(C)c1C
InChIInChI=1S/C8H13N3/c1-5-4-7(8(9)10)6(2)11(5)3/h4H,1-3H3,(H3,9,10)
InChIKeyOCIDPIJCJDJHLK-UHFFFAOYSA-N
XLogP0.93
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
CID 63667646
2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
CID 174920127
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 63537455
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylpyrrole-3-carboximidamide?
The IUPAC name of 1,2,5-trimethylpyrrole-3-carboximidamide (CID 82490393) is 1,2,5-trimethylpyrrole-3-carboximidamide.
What is the SMILES notation for 1,2,5-trimethylpyrrole-3-carboximidamide?
The canonical SMILES for 1,2,5-trimethylpyrrole-3-carboximidamide is [H]/N=C(\N)c1cc(C)n(C)c1C.
What is the InChIKey of 1,2,5-trimethylpyrrole-3-carboximidamide?
The InChIKey is OCIDPIJCJDJHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-4-7(8(9)10)6(2)11(5)3/h4H,1-3H3,(H3,9,10).
What are the key properties of 1,2,5-trimethylpyrrole-3-carboximidamide?
1,2,5-trimethylpyrrole-3-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylpyrrole-3-carboximidamide is sourced from PubChem (CID 82490393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).