1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

C10H14N4O — CID 115645209

IUPAC1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C)o2)n[nH]1
InChIInChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-6-10-12-8(2)13-14-10/h3-4,11H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyFPRNVKQMFANMIQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.30
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine

1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 115645209) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID115645209
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C)o2)n[nH]1
InChIInChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-6-10-12-8(2)13-14-10/h3-4,11H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyFPRNVKQMFANMIQ-UHFFFAOYSA-N
XLogP1.30
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645208
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042362
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645187
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
4-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 131948685
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
CID 79100351
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 104586687

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (CID 115645209) is 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nc(CNCc2ccc(C)o2)n[nH]1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is FPRNVKQMFANMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-6-10-12-8(2)13-14-10/h3-4,11H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).