N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide

C10H13N3O — CID 87154170

IUPACN'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CCNC2
InChIInChI=1S/C10H13N3O/c11-10(13-14)9-3-1-2-7-6-12-5-4-8(7)9/h1-3,12,14H,4-6H2,(H2,11,13)
InChIKeyMFUJKJZTNGKJNQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.43
Rot. Bonds1

About N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide

N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide (PubChem CID 87154170) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
PubChem CID87154170
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CCNC2
InChIInChI=1S/C10H13N3O/c11-10(13-14)9-3-1-2-7-6-12-5-4-8(7)9/h1-3,12,14H,4-6H2,(H2,11,13)
InChIKeyMFUJKJZTNGKJNQ-UHFFFAOYSA-N
XLogP0.43
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide?
The IUPAC name of N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide (CID 87154170) is N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide is N/C(=N\O)c1cccc2c1CCNC2.
What is the InChIKey of N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide?
The InChIKey is MFUJKJZTNGKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(13-14)9-3-1-2-7-6-12-5-4-8(7)9/h1-3,12,14H,4-6H2,(H2,11,13).
What are the key properties of N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide?
N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide has a molecular weight of 191.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide is sourced from PubChem (CID 87154170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).