3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide

C9H13N7O — CID 114143012

IUPAC3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
SMILESCC(C)(CC(N)=O)Nc1cncc2nnnn12
InChIInChI=1S/C9H13N7O/c1-9(2,3-6(10)17)12-7-4-11-5-8-13-14-15-16(7)8/h4-5,12H,3H2,1-2H3,(H2,10,17)
InChIKeyVEWIHYVLBXSADN-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.41
Rot. Bonds4

About 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide

3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide (PubChem CID 114143012) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
PubChem CID114143012
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide
SMILESCC(C)(CC(N)=O)Nc1cncc2nnnn12
InChIInChI=1S/C9H13N7O/c1-9(2,3-6(10)17)12-7-4-11-5-8-13-14-15-16(7)8/h4-5,12H,3H2,1-2H3,(H2,10,17)
InChIKeyVEWIHYVLBXSADN-UHFFFAOYSA-N
XLogP-0.41
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-2-ol
CID 63940787
2-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-1-ol
CID 105058600
2-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)propane-1,2-diol
CID 66170333
4,4-dimethyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentan-1-ol
CID 114177083
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
3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
CID 106098680
2-methyl-5-(tetrazolo[1,5-a]pyrazin-5-ylamino)pentanoic acid
CID 104683126
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
CID 81099516
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
N-[(1-methylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103737000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide?
The IUPAC name of 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide (CID 114143012) is 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide?
The canonical SMILES for 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide is CC(C)(CC(N)=O)Nc1cncc2nnnn12.
What is the InChIKey of 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide?
The InChIKey is VEWIHYVLBXSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-9(2,3-6(10)17)12-7-4-11-5-8-13-14-15-16(7)8/h4-5,12H,3H2,1-2H3,(H2,10,17).
What are the key properties of 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide?
3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide has a molecular weight of 235.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(tetrazolo[1,5-a]pyrazin-5-ylamino)butanamide is sourced from PubChem (CID 114143012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).