[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium

C8H13N4O+ — CID 91826682

IUPAC[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)Nc1cccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1
InChIKeyLRIKRUHIPRIMEM-YFKPBYRVSA-O
MW181.22 g/mol
LogP-0.77
Rot. Bonds2

About [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium

[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 91826682) has the molecular formula C8H13N4O+ and a molecular weight of 181.22 g/mol. Its IUPAC name is [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium
PubChem CID91826682
Molecular FormulaC8H13N4O+
Molecular Weight181.22 g/mol
Exact Mass181.11
IUPAC Name[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)Nc1cccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1
InChIKeyLRIKRUHIPRIMEM-YFKPBYRVSA-O
XLogP-0.77
TPSA95.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium (CID 91826682) is [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium is C[C@H]([NH3+])C(=O)Nc1cccc(N)n1.
What is the InChIKey of [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is LRIKRUHIPRIMEM-YFKPBYRVSA-O. The full InChI is InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1.
What are the key properties of [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium?
[(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 181.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(6-amino-2-pyridinyl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 91826682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).