3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol

C11H17N5O — CID 104732599

IUPAC3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
SMILESCc1cc2c(NCC(N)C(C)O)nccn2n1
InChIInChI=1S/C11H17N5O/c1-7-5-10-11(13-3-4-16(10)15-7)14-6-9(12)8(2)17/h3-5,8-9,17H,6,12H2,1-2H3,(H,13,14)
InChIKeyXKHHGNXIBSIMNE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol

3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol (PubChem CID 104732599) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
PubChem CID104732599
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
SMILESCc1cc2c(NCC(N)C(C)O)nccn2n1
InChIInChI=1S/C11H17N5O/c1-7-5-10-11(13-3-4-16(10)15-7)14-6-9(12)8(2)17/h3-5,8-9,17H,6,12H2,1-2H3,(H,13,14)
InChIKeyXKHHGNXIBSIMNE-UHFFFAOYSA-N
XLogP0.16
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,2-diamine
CID 104732536
N-(2,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731637
N-(2-cyclopropylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113475475
1-(2-fluorophenyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 133489553
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104762381
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
1-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133488582
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
2,3-dimethyl-2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732818
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 133489496

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol (CID 104732599) is 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol is Cc1cc2c(NCC(N)C(C)O)nccn2n1.
What is the InChIKey of 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol?
The InChIKey is XKHHGNXIBSIMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-5-10-11(13-3-4-16(10)15-7)14-6-9(12)8(2)17/h3-5,8-9,17H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol?
3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 104732599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).