(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C18H25N5O2 — CID 164638942

IUPAC(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1ccoc1CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C
InChIInChI=1S/C18H25N5O2/c1-12-7-10-25-15(12)11-19-18(24)22-8-9-23-16(13(22)2)20-21-17(23)14-5-3-4-6-14/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyDGRQTWSXTVSQDW-ZDUSSCGKSA-N
MW343.43 g/mol
LogP3.12
Rot. Bonds3

About (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 164638942) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID164638942
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1ccoc1CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C
InChIInChI=1S/C18H25N5O2/c1-12-7-10-25-15(12)11-19-18(24)22-8-9-23-16(13(22)2)20-21-17(23)14-5-3-4-6-14/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyDGRQTWSXTVSQDW-ZDUSSCGKSA-N
XLogP3.12
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 164638942) is (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is Cc1ccoc1CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C.
What is the InChIKey of (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DGRQTWSXTVSQDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-7-10-25-15(12)11-19-18(24)22-8-9-23-16(13(22)2)20-21-17(23)14-5-3-4-6-14/h7,10,13-14H,3-6,8-9,11H2,1-2H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 164638942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).