3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol

C10H17N3O — CID 83063931

IUPAC3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
SMILESCc1nccnc1NC(CO)C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)9(6-14)13-10-8(3)11-4-5-12-10/h4-5,7,9,14H,6H2,1-3H3,(H,12,13)
InChIKeyRMCKNGOKIMVMBZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol

3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol (PubChem CID 83063931) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
PubChem CID83063931
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
SMILESCc1nccnc1NC(CO)C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)9(6-14)13-10-8(3)11-4-5-12-10/h4-5,7,9,14H,6H2,1-3H3,(H,12,13)
InChIKeyRMCKNGOKIMVMBZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol (CID 83063931) is 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol is Cc1nccnc1NC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol?
The InChIKey is RMCKNGOKIMVMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9(6-14)13-10-8(3)11-4-5-12-10/h4-5,7,9,14H,6H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol?
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 83063931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).