N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine

C14H21N5O — CID 64578682

IUPACN-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCn3cnnc3C2)c1
InChIInChI=1S/C14H21N5O/c1-11(2)15-6-12-5-13(20-9-12)7-18-3-4-19-10-16-17-14(19)8-18/h5,9-11,15H,3-4,6-8H2,1-2H3
InChIKeyGZYOBFSMXKGYRC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.38
Rot. Bonds5

About N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine

N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 64578682) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID64578682
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCn3cnnc3C2)c1
InChIInChI=1S/C14H21N5O/c1-11(2)15-6-12-5-13(20-9-12)7-18-3-4-19-10-16-17-14(19)8-18/h5,9-11,15H,3-4,6-8H2,1-2H3
InChIKeyGZYOBFSMXKGYRC-UHFFFAOYSA-N
XLogP1.38
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 63025339
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
CID 64575732
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-methylaniline
CID 64576218
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine (CID 64578682) is N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN2CCn3cnnc3C2)c1.
What is the InChIKey of N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is GZYOBFSMXKGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)15-6-12-5-13(20-9-12)7-18-3-4-19-10-16-17-14(19)8-18/h5,9-11,15H,3-4,6-8H2,1-2H3.
What are the key properties of N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine?
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 64578682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).