1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C8H10N4O — CID 63204693

IUPAC1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCc2ccoc2)n1
InChIInChI=1S/C8H10N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h1-2,5-6,9H,3-4H2,(H,10,11,12)
InChIKeyMVDFIEQPBUDRIX-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.69
Rot. Bonds4

About 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 63204693) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID63204693
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1n[nH]c(CNCc2ccoc2)n1
InChIInChI=1S/C8H10N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h1-2,5-6,9H,3-4H2,(H,10,11,12)
InChIKeyMVDFIEQPBUDRIX-UHFFFAOYSA-N
XLogP0.69
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149
N,N-dimethyl-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]aniline
CID 54884726
1-(1,3-benzodioxol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54885398
4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]benzoic acid
CID 65347630
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310
N,N-diethyl-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]aniline
CID 54885355
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978892
1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979043
5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]furan-2-carboxylic acid
CID 63317708
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686118
1-(4-methoxy-3-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54885267

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 63204693) is 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1n[nH]c(CNCc2ccoc2)n1.
What is the InChIKey of 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is MVDFIEQPBUDRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-13-5-7(1)3-9-4-8-10-6-11-12-8/h1-2,5-6,9H,3-4H2,(H,10,11,12).
What are the key properties of 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 178.20 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 63204693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).