1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C15H23N5 — CID 71933165

IUPAC1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)n1ncc2c1CCCC2NCc1cnc[nH]1
InChIInChI=1S/C15H23N5/c1-15(2,3)20-14-6-4-5-13(12(14)9-19-20)17-8-11-7-16-10-18-11/h7,9-10,13,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyKPAJAPGASUSSAO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds3

About 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 71933165) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID71933165
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)n1ncc2c1CCCC2NCc1cnc[nH]1
InChIInChI=1S/C15H23N5/c1-15(2,3)20-14-6-4-5-13(12(14)9-19-20)17-8-11-7-16-10-18-11/h7,9-10,13,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyKPAJAPGASUSSAO-UHFFFAOYSA-N
XLogP2.53
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 71933165) is 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is CC(C)(C)n1ncc2c1CCCC2NCc1cnc[nH]1.
What is the InChIKey of 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KPAJAPGASUSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-15(2,3)20-14-6-4-5-13(12(14)9-19-20)17-8-11-7-16-10-18-11/h7,9-10,13,17H,4-6,8H2,1-3H3,(H,16,18).
What are the key properties of 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 71933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).