N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine

C10H14N4O — CID 75485122

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCCc1ccc(CNc2ncnn2C)o1
InChIInChI=1S/C10H14N4O/c1-3-8-4-5-9(15-8)6-11-10-12-7-13-14(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyRSYWDKZOFHIGSN-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.58
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine

N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 75485122) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID75485122
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCCc1ccc(CNc2ncnn2C)o1
InChIInChI=1S/C10H14N4O/c1-3-8-4-5-9(15-8)6-11-10-12-7-13-14(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyRSYWDKZOFHIGSN-UHFFFAOYSA-N
XLogP1.58
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 75485122) is N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine is CCc1ccc(CNc2ncnn2C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is RSYWDKZOFHIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-8-4-5-9(15-8)6-11-10-12-7-13-14(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine?
N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 206.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 75485122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).