(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine

C11H13N3 — CID 117280872

IUPAC(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine
SMILESCc1[nH]nc2ccc(/C=C/CN)cc12
InChIInChI=1S/C11H13N3/c1-8-10-7-9(3-2-6-12)4-5-11(10)14-13-8/h2-5,7H,6,12H2,1H3,(H,13,14)/b3-2+
InChIKeyACGGZFCZPOHCHK-NSCUHMNNSA-N
MW187.25 g/mol
LogP1.84
Rot. Bonds2

About (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine

(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine (PubChem CID 117280872) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine
PubChem CID117280872
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine
SMILESCc1[nH]nc2ccc(/C=C/CN)cc12
InChIInChI=1S/C11H13N3/c1-8-10-7-9(3-2-6-12)4-5-11(10)14-13-8/h2-5,7H,6,12H2,1H3,(H,13,14)/b3-2+
InChIKeyACGGZFCZPOHCHK-NSCUHMNNSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine (CID 117280872) is (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine is Cc1[nH]nc2ccc(/C=C/CN)cc12.
What is the InChIKey of (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine?
The InChIKey is ACGGZFCZPOHCHK-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-10-7-9(3-2-6-12)4-5-11(10)14-13-8/h2-5,7H,6,12H2,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine?
(E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine has a molecular weight of 187.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methyl-2H-indazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 117280872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).