3-[(pyrazin-2-ylamino)methyl]pentan-3-ol

C10H17N3O — CID 62060543

IUPAC3-[(pyrazin-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cnccn1
InChIInChI=1S/C10H17N3O/c1-3-10(14,4-2)8-13-9-7-11-5-6-12-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyLBXWWJFHXSUBTP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.44
Rot. Bonds5

About 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol

3-[(pyrazin-2-ylamino)methyl]pentan-3-ol (PubChem CID 62060543) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(pyrazin-2-ylamino)methyl]pentan-3-ol
PubChem CID62060543
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(pyrazin-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cnccn1
InChIInChI=1S/C10H17N3O/c1-3-10(14,4-2)8-13-9-7-11-5-6-12-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyLBXWWJFHXSUBTP-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol (CID 62060543) is 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNc1cnccn1.
What is the InChIKey of 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol?
The InChIKey is LBXWWJFHXSUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-10(14,4-2)8-13-9-7-11-5-6-12-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13).
What are the key properties of 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol?
3-[(pyrazin-2-ylamino)methyl]pentan-3-ol has a molecular weight of 195.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyrazin-2-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 62060543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).