N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine

C11H14N4O — CID 167785051

IUPACN-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(Nc1n[nH]c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C11H14N4O/c1-7(8-4-5-8)12-11-13-10(14-15-11)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,15)
InChIKeyFNAPDWKWOURILC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.28
Rot. Bonds4

About N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine

N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 167785051) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID167785051
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC(Nc1n[nH]c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C11H14N4O/c1-7(8-4-5-8)12-11-13-10(14-15-11)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,15)
InChIKeyFNAPDWKWOURILC-UHFFFAOYSA-N
XLogP2.28
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729970
2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729977
2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 127036437
7-Amino-2-(2-furyl)-5-hydroxy-1,2,4-triazolo[1,5-a][1,3,5]triazine
CID 135624236
5-(2-Furyl)-4h-1,2,4-triazol-3-amine
CID 10034780
2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
CID 698700
1-acetyl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
CID 757187
1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
CID 757193
3-(2-furyl)-N-(4-isopropylbenzyl)-1H-1,2,4-triazol-5-amine
CID 16015443
7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 127035832
7-N-cyclohexyl-2-(furan-2-yl)-5-N-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 127035833
5-N,7-N-dicyclohexyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 127035834

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (CID 167785051) is N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is CC(Nc1n[nH]c(-c2ccco2)n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is FNAPDWKWOURILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(8-4-5-8)12-11-13-10(14-15-11)9-3-2-6-16-9/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).