N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide

C12H19N7 — CID 156710850

IUPACN,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide
SMILESCCN(C)C.N/C(=N\n1cnnc1)c1ccncc1
InChIInChI=1S/C8H8N6.C4H11N/c9-8(7-1-3-10-4-2-7)13-14-5-11-12-6-14;1-4-5(2)3/h1-6H,(H2,9,13);4H2,1-3H3
InChIKeyDRLIHDUJUWXURB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.41
Rot. Bonds3

About N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide

N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide (PubChem CID 156710850) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide
PubChem CID156710850
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide
SMILESCCN(C)C.N/C(=N\n1cnnc1)c1ccncc1
InChIInChI=1S/C8H8N6.C4H11N/c9-8(7-1-3-10-4-2-7)13-14-5-11-12-6-14;1-4-5(2)3/h1-6H,(H2,9,13);4H2,1-3H3
InChIKeyDRLIHDUJUWXURB-UHFFFAOYSA-N
XLogP0.41
TPSA85.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 5103525
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6271059
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
N'-tert-butylpyridine-4-carboximidamide
CID 63181474
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
butane;1-pyridin-4-ylethanone
CID 174655632
N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
CID 143910294
3-(diaminomethylidene)-1-ethyl-1-(pyridin-4-ylmethyl)guanidine
CID 83031465
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
CID 89216738
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide?
The IUPAC name of N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide (CID 156710850) is N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide.
What is the SMILES notation for N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide?
The canonical SMILES for N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide is CCN(C)C.N/C(=N\n1cnnc1)c1ccncc1.
What is the InChIKey of N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide?
The InChIKey is DRLIHDUJUWXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6.C4H11N/c9-8(7-1-3-10-4-2-7)13-14-5-11-12-6-14;1-4-5(2)3/h1-6H,(H2,9,13);4H2,1-3H3.
What are the key properties of N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide?
N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide has a molecular weight of 261.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 156710850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).