[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol

C8H12N4O — CID 102987396

IUPAC[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol
SMILESNc1nccnc1NC1(CO)CC1
InChIInChI=1S/C8H12N4O/c9-6-7(11-4-3-10-6)12-8(5-13)1-2-8/h3-4,13H,1-2,5H2,(H2,9,10)(H,11,12)
InChIKeyOQTKWOBXYQVXHE-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.00
Rot. Bonds3

About [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol

[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol (PubChem CID 102987396) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol
PubChem CID102987396
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol
SMILESNc1nccnc1NC1(CO)CC1
InChIInChI=1S/C8H12N4O/c9-6-7(11-4-3-10-6)12-8(5-13)1-2-8/h3-4,13H,1-2,5H2,(H2,9,10)(H,11,12)
InChIKeyOQTKWOBXYQVXHE-UHFFFAOYSA-N
XLogP-0.00
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol (CID 102987396) is [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol is Nc1nccnc1NC1(CO)CC1.
What is the InChIKey of [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol?
The InChIKey is OQTKWOBXYQVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-7(11-4-3-10-6)12-8(5-13)1-2-8/h3-4,13H,1-2,5H2,(H2,9,10)(H,11,12).
What are the key properties of [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol?
[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol has a molecular weight of 180.21 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 102987396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).