(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol

C12H13N7O — CID 164634591

IUPAC(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol
SMILESCN(C[C@H](O)c1cccnc1)c1nccn2nnnc12
InChIInChI=1S/C12H13N7O/c1-18(8-10(20)9-3-2-4-13-7-9)11-12-15-16-17-19(12)6-5-14-11/h2-7,10,20H,8H2,1H3/t10-/m0/s1
InChIKeyNEKLVTADIGCASK-JTQLQIEISA-N
MW271.28 g/mol
LogP0.08
Rot. Bonds4

About (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol

(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol (PubChem CID 164634591) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol
PubChem CID164634591
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol
SMILESCN(C[C@H](O)c1cccnc1)c1nccn2nnnc12
InChIInChI=1S/C12H13N7O/c1-18(8-10(20)9-3-2-4-13-7-9)11-12-15-16-17-19(12)6-5-14-11/h2-7,10,20H,8H2,1H3/t10-/m0/s1
InChIKeyNEKLVTADIGCASK-JTQLQIEISA-N
XLogP0.08
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol (CID 164634591) is (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol is CN(C[C@H](O)c1cccnc1)c1nccn2nnnc12.
What is the InChIKey of (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol?
The InChIKey is NEKLVTADIGCASK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N7O/c1-18(8-10(20)9-3-2-4-13-7-9)11-12-15-16-17-19(12)6-5-14-11/h2-7,10,20H,8H2,1H3/t10-/m0/s1.
What are the key properties of (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol?
(1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol has a molecular weight of 271.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[methyl(tetrazolo[1,5-a]pyrazin-8-yl)amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 164634591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).