2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol

C10H18N4O — CID 83916771

IUPAC2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol
SMILESCn1nc(N)c2c1CCN(CCO)CC2
InChIInChI=1S/C10H18N4O/c1-13-9-3-5-14(6-7-15)4-2-8(9)10(11)12-13/h15H,2-7H2,1H3,(H2,11,12)
InChIKeyBHRGDYXYPZUAID-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.60
Rot. Bonds2

About 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol

2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol (PubChem CID 83916771) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol
PubChem CID83916771
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol
SMILESCn1nc(N)c2c1CCN(CCO)CC2
InChIInChI=1S/C10H18N4O/c1-13-9-3-5-14(6-7-15)4-2-8(9)10(11)12-13/h15H,2-7H2,1H3,(H2,11,12)
InChIKeyBHRGDYXYPZUAID-UHFFFAOYSA-N
XLogP-0.60
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol?
The IUPAC name of 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol (CID 83916771) is 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol.
What is the SMILES notation for 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol?
The canonical SMILES for 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol is Cn1nc(N)c2c1CCN(CCO)CC2.
What is the InChIKey of 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol?
The InChIKey is BHRGDYXYPZUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-9-3-5-14(6-7-15)4-2-8(9)10(11)12-13/h15H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol?
2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)ethanol is sourced from PubChem (CID 83916771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).