2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid

C10H14N6O2 — CID 104683126

IUPAC2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
SMILESCC(CCCNc1cncc2nnnn12)C(=O)O
InChIInChI=1S/C10H14N6O2/c1-7(10(17)18)3-2-4-12-8-5-11-6-9-13-14-15-16(8)9/h5-7,12H,2-4H2,1H3,(H,17,18)
InChIKeyBAWKAMFRJUEWRY-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.43
Rot. Bonds6

About 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid

2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid (PubChem CID 104683126) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
PubChem CID104683126
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
SMILESCC(CCCNc1cncc2nnnn12)C(=O)O
InChIInChI=1S/C10H14N6O2/c1-7(10(17)18)3-2-4-12-8-5-11-6-9-13-14-15-16(8)9/h5-7,12H,2-4H2,1H3,(H,17,18)
InChIKeyBAWKAMFRJUEWRY-UHFFFAOYSA-N
XLogP0.43
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
CID 65226474
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
2-methyl-1-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-2-ol
CID 63940787
3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
CID 114143012
2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
CID 66170333
5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
CID 81099516
2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
CID 106116411
2-acetamido-3-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)propanoic acid
CID 107768343
N-(2-cyclopentyloxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 62196313
5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid
CID 104683248
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 107489227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid (CID 104683126) is 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid is CC(CCCNc1cncc2nnnn12)C(=O)O.
What is the InChIKey of 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid?
The InChIKey is BAWKAMFRJUEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7(10(17)18)3-2-4-12-8-5-11-6-9-13-14-15-16(8)9/h5-7,12H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid?
2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid has a molecular weight of 250.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid is sourced from PubChem (CID 104683126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).