N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine

C7H9FN6 — CID 130677971

IUPACN-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine
SMILESC[C@@H](CF)Nc1nccn2nnnc12
InChIInChI=1S/C7H9FN6/c1-5(4-8)10-6-7-11-12-13-14(7)3-2-9-6/h2-3,5H,4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyMVMHNQLFTFJPEQ-YFKPBYRVSA-N
MW196.19 g/mol
LogP0.29
Rot. Bonds3

About N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine

N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine (PubChem CID 130677971) has the molecular formula C7H9FN6 and a molecular weight of 196.19 g/mol. Its IUPAC name is N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine
PubChem CID130677971
Molecular FormulaC7H9FN6
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC NameN-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine
SMILESC[C@@H](CF)Nc1nccn2nnnc12
InChIInChI=1S/C7H9FN6/c1-5(4-8)10-6-7-11-12-13-14(7)3-2-9-6/h2-3,5H,4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyMVMHNQLFTFJPEQ-YFKPBYRVSA-N
XLogP0.29
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine (CID 130677971) is N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine is C[C@@H](CF)Nc1nccn2nnnc12.
What is the InChIKey of N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine?
The InChIKey is MVMHNQLFTFJPEQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9FN6/c1-5(4-8)10-6-7-11-12-13-14(7)3-2-9-6/h2-3,5H,4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine?
N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine has a molecular weight of 196.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 130677971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).