4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid

C12H17N5O2 — CID 82684004

IUPAC4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
SMILESCc1nnc2c(NCC(C)CCC(=O)O)nccn12
InChIInChI=1S/C12H17N5O2/c1-8(3-4-10(18)19)7-14-11-12-16-15-9(2)17(12)6-5-13-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H,18,19)
InChIKeyGKEHSVBCILYITR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds6

About 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid

4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid (PubChem CID 82684004) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
PubChem CID82684004
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
SMILESCc1nnc2c(NCC(C)CCC(=O)O)nccn12
InChIInChI=1S/C12H17N5O2/c1-8(3-4-10(18)19)7-14-11-12-16-15-9(2)17(12)6-5-13-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H,18,19)
InChIKeyGKEHSVBCILYITR-UHFFFAOYSA-N
XLogP1.35
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid with MolForge

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Related Compounds

5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
CID 82017050
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808
2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
CID 79792692
5-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoic acid
CID 106536456
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
CID 115310106
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 172904499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid (CID 82684004) is 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid is Cc1nnc2c(NCC(C)CCC(=O)O)nccn12.
What is the InChIKey of 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid?
The InChIKey is GKEHSVBCILYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(3-4-10(18)19)7-14-11-12-16-15-9(2)17(12)6-5-13-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H,18,19).
What are the key properties of 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid?
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid is sourced from PubChem (CID 82684004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).