furan-3-yl-(3-propyltriazol-4-yl)methanamine

C10H14N4O — CID 114687789

IUPACfuran-3-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccoc1
InChIInChI=1S/C10H14N4O/c1-2-4-14-9(6-12-13-14)10(11)8-3-5-15-7-8/h3,5-7,10H,2,4,11H2,1H3
InChIKeyMWIPKDOEHAAREI-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.33
Rot. Bonds4

About furan-3-yl-(3-propyltriazol-4-yl)methanamine

furan-3-yl-(3-propyltriazol-4-yl)methanamine (PubChem CID 114687789) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is furan-3-yl-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Namefuran-3-yl-(3-propyltriazol-4-yl)methanamine
PubChem CID114687789
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Namefuran-3-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccoc1
InChIInChI=1S/C10H14N4O/c1-2-4-14-9(6-12-13-14)10(11)8-3-5-15-7-8/h3,5-7,10H,2,4,11H2,1H3
InChIKeyMWIPKDOEHAAREI-UHFFFAOYSA-N
XLogP1.33
TPSA69.87 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
CID 130484270
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038767
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038683
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of furan-3-yl-(3-propyltriazol-4-yl)methanamine (CID 114687789) is furan-3-yl-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for furan-3-yl-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for furan-3-yl-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccoc1.
What is the InChIKey of furan-3-yl-(3-propyltriazol-4-yl)methanamine?
The InChIKey is MWIPKDOEHAAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-4-14-9(6-12-13-14)10(11)8-3-5-15-7-8/h3,5-7,10H,2,4,11H2,1H3.
What are the key properties of furan-3-yl-(3-propyltriazol-4-yl)methanamine?
furan-3-yl-(3-propyltriazol-4-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).