1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine

C12H15N3 — CID 84776379

IUPAC1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine
SMILESCc1cc(C)c2n[nH]c(C3(N)CC3)c2c1
InChIInChI=1S/C12H15N3/c1-7-5-8(2)10-9(6-7)11(15-14-10)12(13)3-4-12/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyISNNWOYQTXBAFU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds1

About 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine

1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine (PubChem CID 84776379) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine
PubChem CID84776379
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine
SMILESCc1cc(C)c2n[nH]c(C3(N)CC3)c2c1
InChIInChI=1S/C12H15N3/c1-7-5-8(2)10-9(6-7)11(15-14-10)12(13)3-4-12/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyISNNWOYQTXBAFU-UHFFFAOYSA-N
XLogP2.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine (CID 84776379) is 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine is Cc1cc(C)c2n[nH]c(C3(N)CC3)c2c1.
What is the InChIKey of 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine?
The InChIKey is ISNNWOYQTXBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-7-5-8(2)10-9(6-7)11(15-14-10)12(13)3-4-12/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine?
1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-2H-indazol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 84776379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).