N-tert-butyl-1-methylindazol-5-amine

C12H17N3 — CID 58709852

IUPACN-tert-butyl-1-methylindazol-5-amine
SMILESCn1ncc2cc(NC(C)(C)C)ccc21
InChIInChI=1S/C12H17N3/c1-12(2,3)14-10-5-6-11-9(7-10)8-13-15(11)4/h5-8,14H,1-4H3
InChIKeyKSEUCFYGXQPEFJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds1

About N-tert-butyl-1-methylindazol-5-amine

N-tert-butyl-1-methylindazol-5-amine (PubChem CID 58709852) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-tert-butyl-1-methylindazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1-methylindazol-5-amine
PubChem CID58709852
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-tert-butyl-1-methylindazol-5-amine
SMILESCn1ncc2cc(NC(C)(C)C)ccc21
InChIInChI=1S/C12H17N3/c1-12(2,3)14-10-5-6-11-9(7-10)8-13-15(11)4/h5-8,14H,1-4H3
InChIKeyKSEUCFYGXQPEFJ-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methylindazol-5-amine?
The IUPAC name of N-tert-butyl-1-methylindazol-5-amine (CID 58709852) is N-tert-butyl-1-methylindazol-5-amine.
What is the SMILES notation for N-tert-butyl-1-methylindazol-5-amine?
The canonical SMILES for N-tert-butyl-1-methylindazol-5-amine is Cn1ncc2cc(NC(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-1-methylindazol-5-amine?
The InChIKey is KSEUCFYGXQPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,3)14-10-5-6-11-9(7-10)8-13-15(11)4/h5-8,14H,1-4H3.
What are the key properties of N-tert-butyl-1-methylindazol-5-amine?
N-tert-butyl-1-methylindazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methylindazol-5-amine is sourced from PubChem (CID 58709852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).