2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride

C7H14Cl4N4 — CID 23471478

IUPAC2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=NCc1ccncc1
InChIInChI=1S/C7H10N4.4ClH/c8-7(9)11-5-6-1-3-10-4-2-6;;;;/h1-4H,5H2,(H4,8,9,11);4*1H
InChIKeyGMACHCUHOUBPRF-UHFFFAOYSA-N
MW296.03 g/mol
LogP1.54
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride

2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride (PubChem CID 23471478) has the molecular formula C7H14Cl4N4 and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
PubChem CID23471478
Molecular FormulaC7H14Cl4N4
Molecular Weight296.03 g/mol
Exact Mass294.00
IUPAC Name2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=NCc1ccncc1
InChIInChI=1S/C7H10N4.4ClH/c8-7(9)11-5-6-1-3-10-4-2-6;;;;/h1-4H,5H2,(H4,8,9,11);4*1H
InChIKeyGMACHCUHOUBPRF-UHFFFAOYSA-N
XLogP1.54
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 51.54
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-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-nitro-2-(pyridin-4-ylmethyl)guanidine
CID 13382812
N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide
CID 123793658
[4-[(diaminomethylideneamino)methyl]phenyl]-(3-ethylpentan-3-yl)tin
CID 141360208
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
pyridin-4-ylmethyl N-(diaminomethylidene)carbamate
CID 175822954
2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 139746208

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride?
The IUPAC name of 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride (CID 23471478) is 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride?
The canonical SMILES for 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride is Cl.Cl.Cl.Cl.NC(N)=NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride?
The InChIKey is GMACHCUHOUBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.4ClH/c8-7(9)11-5-6-1-3-10-4-2-6;;;;/h1-4H,5H2,(H4,8,9,11);4*1H.
What are the key properties of 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride?
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride has a molecular weight of 296.03 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride is sourced from PubChem (CID 23471478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).