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

C10H14N4O — CID 106281571

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ncn[nH]2)o1
InChIInChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-8(2)10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyWOGUJIIISKRWEB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.56
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106281571) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106281571
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1ccc(CNC(C)c2ncn[nH]2)o1
InChIInChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-8(2)10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyWOGUJIIISKRWEB-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106281628
N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62522793
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 114080332
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114167935
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
N-[(2,4-dimethoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886550
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282301
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106281571) is N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1ccc(CNC(C)c2ncn[nH]2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is WOGUJIIISKRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-3-4-9(15-7)5-11-8(2)10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106281571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).