3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol

C9H14N4O — CID 102984602

IUPAC3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESNc1nccnc1NCC1CC(O)C1
InChIInChI=1S/C9H14N4O/c10-8-9(12-2-1-11-8)13-5-6-3-7(14)4-6/h1-2,6-7,14H,3-5H2,(H2,10,11)(H,12,13)
InChIKeyJBCKCUSHQCLHDL-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.24
Rot. Bonds3

About 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol

3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 102984602) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID102984602
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESNc1nccnc1NCC1CC(O)C1
InChIInChI=1S/C9H14N4O/c10-8-9(12-2-1-11-8)13-5-6-3-7(14)4-6/h1-2,6-7,14H,3-5H2,(H2,10,11)(H,12,13)
InChIKeyJBCKCUSHQCLHDL-UHFFFAOYSA-N
XLogP0.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol (CID 102984602) is 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol is Nc1nccnc1NCC1CC(O)C1.
What is the InChIKey of 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is JBCKCUSHQCLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-9(12-2-1-11-8)13-5-6-3-7(14)4-6/h1-2,6-7,14H,3-5H2,(H2,10,11)(H,12,13).
What are the key properties of 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol?
3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 194.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 102984602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).