5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide

C11H13N5O2 — CID 114387413

IUPAC5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(CN)o2)nc1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)15-16-11(13-6)14-10(17)9-4-3-8(5-12)18-9/h3-4H,5,12H2,1-2H3,(H,13,14,16,17)
InChIKeyUGMABCSDGKNMBE-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.79
Rot. Bonds3

About 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide

5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide (PubChem CID 114387413) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide
PubChem CID114387413
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(CN)o2)nc1C
InChIInChI=1S/C11H13N5O2/c1-6-7(2)15-16-11(13-6)14-10(17)9-4-3-8(5-12)18-9/h3-4H,5,12H2,1-2H3,(H,13,14,16,17)
InChIKeyUGMABCSDGKNMBE-UHFFFAOYSA-N
XLogP0.79
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
CID 69452250
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
4-carbamothioyl-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114387992
5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 106416216
6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389346
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606
5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
CID 104757744
N-[5-(aminomethyl)-2-pyridinyl]-5-ethylfuran-2-carboxamide
CID 79095429
5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide (CID 114387413) is 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide is Cc1nnc(NC(=O)c2ccc(CN)o2)nc1C.
What is the InChIKey of 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide?
The InChIKey is UGMABCSDGKNMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-7(2)15-16-11(13-6)14-10(17)9-4-3-8(5-12)18-9/h3-4H,5,12H2,1-2H3,(H,13,14,16,17).
What are the key properties of 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 114387413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).