1-(furan-2-ylmethyl)-5-propyltriazol-4-amine

C10H14N4O — CID 79543353

IUPAC1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ccco1
InChIInChI=1S/C10H14N4O/c1-2-4-9-10(11)12-13-14(9)7-8-5-3-6-15-8/h3,5-6H,2,4,7,11H2,1H3
InChIKeyARAQJPJJZXCYLW-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.45
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine

1-(furan-2-ylmethyl)-5-propyltriazol-4-amine (PubChem CID 79543353) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
PubChem CID79543353
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ccco1
InChIInChI=1S/C10H14N4O/c1-2-4-9-10(11)12-13-14(9)7-8-5-3-6-15-8/h3,5-6H,2,4,7,11H2,1H3
InChIKeyARAQJPJJZXCYLW-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-propyltriazol-4-amine
CID 79536608
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
CID 79541998
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
1-[(5-methylfuran-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
CID 62054917
2-(1-deuteriopropyl)furan
CID 141109691
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-propyltriazol-4-amine
CID 79541889
2-(furan-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177506
butyl 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47138505
2-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51312887

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine (CID 79543353) is 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine?
The InChIKey is ARAQJPJJZXCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-4-9-10(11)12-13-14(9)7-8-5-3-6-15-8/h3,5-6H,2,4,7,11H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine?
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine has a molecular weight of 206.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79543353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).