N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C14H17N5O — CID 166292139

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)c1nnc2c(N[C@@H](C)c3ccco3)nccn12
InChIInChI=1S/C14H17N5O/c1-9(2)13-17-18-14-12(15-6-7-19(13)14)16-10(3)11-5-4-8-20-11/h4-10H,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyOBUMZAHUGNIAJW-JTQLQIEISA-N
MW271.32 g/mol
LogP3.01
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 166292139) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID166292139
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(C)c1nnc2c(N[C@@H](C)c3ccco3)nccn12
InChIInChI=1S/C14H17N5O/c1-9(2)13-17-18-14-12(15-6-7-19(13)14)16-10(3)11-5-4-8-20-11/h4-10H,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyOBUMZAHUGNIAJW-JTQLQIEISA-N
XLogP3.01
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 166292139) is N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(C)c1nnc2c(N[C@@H](C)c3ccco3)nccn12.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OBUMZAHUGNIAJW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)13-17-18-14-12(15-6-7-19(13)14)16-10(3)11-5-4-8-20-11/h4-10H,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 271.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 166292139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).