2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol

C15H17N5O — CID 164622628

IUPAC2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(C)CO)n3)cc12
InChIInChI=1S/C15H17N5O/c1-9(8-21)17-15-7-16-6-14(18-15)11-3-4-13-12(5-11)10(2)19-20-13/h3-7,9,21H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySPHHIDRMWVKGHL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.12
Rot. Bonds4

About 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol

2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol (PubChem CID 164622628) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol
PubChem CID164622628
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(C)CO)n3)cc12
InChIInChI=1S/C15H17N5O/c1-9(8-21)17-15-7-16-6-14(18-15)11-3-4-13-12(5-11)10(2)19-20-13/h3-7,9,21H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySPHHIDRMWVKGHL-UHFFFAOYSA-N
XLogP2.12
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol (CID 164622628) is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol is Cc1[nH]nc2ccc(-c3cncc(NC(C)CO)n3)cc12.
What is the InChIKey of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is SPHHIDRMWVKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(8-21)17-15-7-16-6-14(18-15)11-3-4-13-12(5-11)10(2)19-20-13/h3-7,9,21H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol?
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 164622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).